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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(phenylmethyl)carbamoylamino]-N-propan-2-yl-benzamide Openeye Name: 5-(benzylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopropyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[oxo-[(phenylmethyl)amino]methyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 5-(benzylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propan-2-ylbenzamide Traditional Name: 5-(benzylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopropyl-benzamide Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NCC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NCC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H30N4O2/c1-19(2)29-26(32)24-16-23(30-27(33)28-17-20-8-4-3-5-9-20)12-13-25(24)31-15-14-21-10-6-7-11-22(21)18-31/h3-13,16,19H,14-15,17-18H2,1-2H3,(H,29,32)(H2,28,30,33)