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

Systemtic Name: (3S)-2-(3,4-dichlorophenyl)carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(3,4-dichlorobenzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(3,4-dichlorophenyl)-oxomethyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3,4-dichlorobenzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-amylphenyl)-2-(3,4-dichlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H28Cl2N2O2 MolecularWeight: 495.44012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28Cl2N2O2/c1-2-3-4-7-19-10-13-23(14-11-19)31-27(33)26-17-20-8-5-6-9-22(20)18-32(26)28(34)21-12-15-24(29)25(30)16-21/h5-6,8-16,26H,2-4,7,17-18H2,1H3,(H,31,33)/t26-/m0/s1