N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylbutanoylamino)benzamide

Systemtic Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylbutanoylamino)benzamide Openeye Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylbutanoylamino)benzamide CAS Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(1-oxo-2-phenylbutyl)amino]benzamide IUPAC Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylbutanoylamino)benzamide Traditional Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylbutanoylamino)benzamide Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NC5CC5

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NC5CC5

InChI

InChI=1S/C29H31N3O2/c1-2-25(21-9-4-3-5-10-21)28(33)31-24-14-15-27(26(18-24)29(34)30-23-12-13-23)32-17-16-20-8-6-7-11-22(20)19-32/h3-11,14-15,18,23,25H,2,12-13,16-17,19H2,1H3,(H,30,34)(H,31,33)