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

Systemtic Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-methylphenyl)carbonylamino]benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-methylbenzoyl)amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(4-methylphenyl)-oxomethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-methylbenzoyl)amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(p-toluoylamino)-N-sec-butyl-benzamide Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H31N3O2/c1-4-20(3)29-28(33)25-17-24(30-27(32)22-11-9-19(2)10-12-22)13-14-26(25)31-16-15-21-7-5-6-8-23(21)18-31/h5-14,17,20H,4,15-16,18H2,1-3H3,(H,29,33)(H,30,32)