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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-(propanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-(propanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxopropylamino)-N-phenethylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-(propanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-propionamido-benzamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O2/c1-2-26(31)29-23-12-13-25(30-17-15-21-10-6-7-11-22(21)19-30)24(18-23)27(32)28-16-14-20-8-4-3-5-9-20/h3-13,18H,2,14-17,19H2,1H3,(H,28,32)(H,29,31)