(3S)-2-(3-chlorophenyl)carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(3-chlorophenyl)carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(3-chlorobenzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(3-chlorophenyl)-oxomethyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3-chlorobenzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-amylphenyl)-2-(3-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H29ClN2O2 MolecularWeight: 460.99506

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H29ClN2O2/c1-2-3-4-8-20-13-15-25(16-14-20)30-27(32)26-18-21-9-5-6-10-23(21)19-31(26)28(33)22-11-7-12-24(29)17-22/h5-7,9-17,26H,2-4,8,18-19H2,1H3,(H,30,32)/t26-/m0/s1