(3S)-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[3-[(1-methyl-4-piperidyl)oxy]benzoyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[[3-[(1-methyl-4-piperidinyl)oxy]phenyl]-oxomethyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[3-(1-methylpiperidin-4-yl)oxybenzoyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-amylphenyl)-2-[3-[(1-methyl-4-piperidyl)oxy]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C34H41N3O3 MolecularWeight: 539.70764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC(=CC=C4)OC5CCN(CC5)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)C4=CC(=CC=C4)OC5CCN(CC5)C

InChI

InChI=1S/C34H41N3O3/c1-3-4-5-9-25-14-16-29(17-15-25)35-33(38)32-23-26-10-6-7-11-28(26)24-37(32)34(39)27-12-8-13-31(22-27)40-30-18-20-36(2)21-19-30/h6-8,10-17,22,30,32H,3-5,9,18-21,23-24H2,1-2H3,(H,35,38)/t32-/m0/s1