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

Systemtic Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylbutanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylbutanoylamino)-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(1-oxo-2-phenylbutyl)amino]benzamide IUPAC Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylbutanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylbutanoylamino)-N-sec-butyl-benzamide Formula: C30H35N3O2 MolecularWeight: 469.6178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O2/c1-4-21(3)31-30(35)27-19-25(32-29(34)26(5-2)23-12-7-6-8-13-23)15-16-28(27)33-18-17-22-11-9-10-14-24(22)20-33/h6-16,19,21,26H,4-5,17-18,20H2,1-3H3,(H,31,35)(H,32,34)