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

Systemtic Name: 5-[(4-butoxyphenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)benzamide Openeye Name: 5-[(4-butoxybenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-benzamide CAS Name: 5-[[(4-butoxyphenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)benzamide IUPAC Name: 5-[(4-butoxybenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)benzamide Traditional Name: 5-[(4-butoxybenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-benzamide Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC(C)C

InChI

InChI=1S/C31H37N3O3/c1-4-5-18-37-27-13-10-24(11-14-27)30(35)33-26-12-15-29(28(19-26)31(36)32-20-22(2)3)34-17-16-23-8-6-7-9-25(23)21-34/h6-15,19,22H,4-5,16-18,20-21H2,1-3H3,(H,32,36)(H,33,35)