5-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide

Systemtic Name: 5-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-[(3-chloro-4-methyl-phenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[[(3-chloro-4-methylanilino)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-[(3-chloro-4-methylphenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-[(3-chloro-4-methyl-phenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C32H31ClN4O2 MolecularWeight: 539.06714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCC5=CC=CC=C5)Cl

InChI

InChI=1S/C32H31ClN4O2/c1-22-11-12-27(20-29(22)33)36-32(39)35-26-13-14-30(37-18-16-24-9-5-6-10-25(24)21-37)28(19-26)31(38)34-17-15-23-7-3-2-4-8-23/h2-14,19-20H,15-18,21H2,1H3,(H,34,38)(H2,35,36,39)