70303812
  -OEChem-05102423562D

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    6.8474    3.9307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1025    1.8667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
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  7 35  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
70303812

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
535

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAYAAAAA8YIAAAAAAAAAB0AAAHgAQAAAADyjBngQ8gJLIEACoAzV3VACCgCAxAiAI2KE4ZJgIIPLAlZGEIAhgkADIyAcYicCfgAAAAAAAAAAAAAAAAAAAACAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,2-diphenyl-2-[3-[3-(2-pyridyl)propylamino]cyclopentyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2,2-diphenyl-2-[3-[3-(2-pyridinyl)propylamino]cyclopentyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,2-diphenyl-2-[3-(3-pyridin-2-ylpropylamino)cyclopentyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2,2-diphenyl-2-[3-(3-pyridin-2-ylpropylamino)cyclopentyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,2-diphenyl-2-[3-(3-pyridin-2-ylpropylamino)cyclopentyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,2-diphenyl-2-[3-[3-(2-pyridyl)propylamino]cyclopentyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H31N3O/c28-26(31)27(21-10-3-1-4-11-21,22-12-5-2-6-13-22)23-16-17-25(20-23)30-19-9-15-24-14-7-8-18-29-24/h1-8,10-14,18,23,25,30H,9,15-17,19-20H2,(H2,28,31)

> <PUBCHEM_IUPAC_INCHIKEY>
SREKYPCNRSQSAE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
413.246712621

> <PUBCHEM_MOLECULAR_FORMULA>
C27H31N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
413.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)NCCCC4=CC=CC=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)NCCCC4=CC=CC=N4

> <PUBCHEM_CACTVS_TPSA>
68

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
413.246712621

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
11  15  8
11  17  8
12  16  8
12  18  8
15  20  8
16  21  8
17  22  8
18  23  8
7  2  3
20  25  8
21  26  8
22  25  8
23  26  8
27  28  8
28  29  8
29  31  8
30  31  8
4  27  8
4  30  8
5  9  3

$$$$