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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(propanoylamino)-N-propan-2-yl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopropyl-5-(propanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxopropylamino)-N-propan-2-ylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(propanoylamino)-N-propan-2-ylbenzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopropyl-5-propionamido-benzamide Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC(C)C

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC(C)C

InChI

InChI=1S/C22H27N3O2/c1-4-21(26)24-18-9-10-20(19(13-18)22(27)23-15(2)3)25-12-11-16-7-5-6-8-17(16)14-25/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,23,27)(H,24,26)