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

Systemtic Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-methoxyphenyl)carbonylamino]benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-methoxybenzoyl)amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(4-methoxyphenyl)-oxomethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-methoxybenzoyl)amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(p-anisoylamino)-N-sec-butyl-benzamide Formula: C28H31N3O3 MolecularWeight: 457.56404

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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)OC)N3CCC4=CC=CC=C4C3

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O3/c1-4-19(2)29-28(33)25-17-23(30-27(32)21-9-12-24(34-3)13-10-21)11-14-26(25)31-16-15-20-7-5-6-8-22(20)18-31/h5-14,17,19H,4,15-16,18H2,1-3H3,(H,29,33)(H,30,32)