2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-methylpropanoylamino)-N-phenethyl-benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-methylpropanoylamino)-N-phenethyl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-methylpropanoylamino)-N-phenethyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-methyl-1-oxopropyl)amino]-N-phenethylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-methylpropanoylamino)-N-phenethylbenzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(isobutyrylamino)-N-phenethyl-benzamide Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O2/c1-20(2)27(32)30-24-12-13-26(31-17-15-22-10-6-7-11-23(22)19-31)25(18-24)28(33)29-16-14-21-8-4-3-5-9-21/h3-13,18,20H,14-17,19H2,1-2H3,(H,29,33)(H,30,32)