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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-methylphenyl)carbonylamino]-N-propan-2-yl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopropyl-5-[(4-methylbenzoyl)amino]benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(4-methylphenyl)-oxomethyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-methylbenzoyl)amino]-N-propan-2-ylbenzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopropyl-5-(p-toluoylamino)benzamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NC(C)C

InChI

InChI=1S/C27H29N3O2/c1-18(2)28-27(32)24-16-23(29-26(31)21-10-8-19(3)9-11-21)12-13-25(24)30-15-14-20-6-4-5-7-22(20)17-30/h4-13,16,18H,14-15,17H2,1-3H3,(H,28,32)(H,29,31)