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

Systemtic Name: 5-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Openeye Name: 5-[(3-chloro-4-methyl-phenyl)carbamoylamino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide CAS Name: 5-[[(3-chloro-4-methylanilino)-oxomethyl]amino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide IUPAC Name: 5-[(3-chloro-4-methylphenyl)carbamoylamino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Traditional Name: 5-[(3-chloro-4-methyl-phenyl)carbamoylamino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Formula: C27H27ClN4O2 MolecularWeight: 474.98188

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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)NC5CC5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NC5CC5)Cl

InChI

InChI=1S/C27H27ClN4O2/c1-17-6-7-22(15-24(17)28)31-27(34)30-21-10-11-25(23(14-21)26(33)29-20-8-9-20)32-13-12-18-4-2-3-5-19(18)16-32/h2-7,10-11,14-15,20H,8-9,12-13,16H2,1H3,(H,29,33)(H2,30,31,34)