2-(dipentylamino)-1-(1-methyl-7-propan-2-yl-phenanthren-3-yl)propan-1-one hydrochloride

Systemtic Name: 2-(dipentylamino)-1-(1-methyl-7-propan-2-yl-phenanthren-3-yl)propan-1-one hydrochloride Openeye Name: 2-(dipentylamino)-1-(7-isopropyl-1-methyl-3-phenanthryl)propan-1-one hydrochloride CAS Name: 2-(dipentylamino)-1-(1-methyl-7-propan-2-yl-3-phenanthrenyl)-1-propanone hydrochloride IUPAC Name: 2-(dipentylamino)-1-(1-methyl-7-propan-2-ylphenanthren-3-yl)propan-1-one hydrochloride Traditional Name: 2-(diamylamino)-1-(7-isopropyl-1-methyl-3-phenanthryl)propan-1-one hydrochloride Formula: C31H44ClNO MolecularWeight: 482.14016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(C)C(=O)C1=CC(=C2C=CC3=C(C2=C1)C=CC(=C3)C(C)C)C.Cl

Isomeric SMILES

CCCCCN(CCCCC)C(C)C(=O)C1=CC(=C2C=CC3=C(C2=C1)C=CC(=C3)C(C)C)C.Cl

InChI

InChI=1S/C31H43NO.ClH/c1-7-9-11-17-32(18-12-10-8-2)24(6)31(33)27-19-23(5)28-15-14-26-20-25(22(3)4)13-16-29(26)30(28)21-27;/h13-16,19-22,24H,7-12,17-18H2,1-6H3;1H