72676430
  -OEChem-04192422222D

 69 73  0     1  0  0  0  0  0999 V2000
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    5.4503    2.7642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2626   -2.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
72676430

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
821

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uAAAAAAAAAAAAAAAAAAAAWLAAAA8WIAAAAAAAFgB/AAAHgAUCAAADizhngYzxvPZlgCpA6VyVgCCiCAlMiAomSG/fNqOdvrEsbuUcahu1pvY6WeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3,5-dimethylisoxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-2-propanoyl-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-2-(1-oxopropyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-2-propanoylspiro[3,9-dihydro-1<I>H</I>-pyrido[3,4-b]indole-4,4&apos;-piperidine]-1&apos;-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-2-propanoylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-2-propanoyl-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(3,5-dimethylisoxazol-4-yl)-7-methoxy-1-methylol-2-propionyl-spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H33N5O5/c1-5-21(33)31-14-26(8-10-30(11-9-26)25(34)28-23-15(2)29-36-16(23)3)22-18-7-6-17(35-4)12-19(18)27-24(22)20(31)13-32/h6-7,12,20,27,32H,5,8-11,13-14H2,1-4H3,(H,28,34)

> <PUBCHEM_IUPAC_INCHIKEY>
VMAIHIRLRJTNCQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
495.24816917

> <PUBCHEM_MOLECULAR_FORMULA>
C26H33N5O5

> <PUBCHEM_MOLECULAR_WEIGHT>
495.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(=O)N1CC2(CCN(CC2)C(=O)NC3=C(ON=C3C)C)C4=C(C1CO)NC5=C4C=CC(=C5)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(=O)N1CC2(CCN(CC2)C(=O)NC3=C(ON=C3C)C)C4=C(C1CO)NC5=C4C=CC(=C5)OC

> <PUBCHEM_CACTVS_TPSA>
124

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
495.24816917

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  33  8
13  17  8
13  20  8
16  22  3
20  21  8
20  24  8
21  26  8
24  28  8
26  29  8
28  29  8
31  32  8
31  33  8
5  10  8
5  32  8
8  17  8
8  21  8

$$$$