5-[(4-butylphenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)benzamide

Systemtic Name: 5-[(4-butylphenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)benzamide Openeye Name: 5-[(4-butylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-benzamide CAS Name: 5-[[(4-butylphenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)benzamide IUPAC Name: 5-[(4-butylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)benzamide Traditional Name: 5-[(4-butylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-benzamide Formula: C31H37N3O2 MolecularWeight: 483.64438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC(C)C

InChI

InChI=1S/C31H37N3O2/c1-4-5-8-23-11-13-25(14-12-23)30(35)33-27-15-16-29(28(19-27)31(36)32-20-22(2)3)34-18-17-24-9-6-7-10-26(24)21-34/h6-7,9-16,19,22H,4-5,8,17-18,20-21H2,1-3H3,(H,32,36)(H,33,35)