2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-methylbutanoylamino)-N-(2-morpholin-4-ylethyl)benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-methylbutanoylamino)-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-methylbutanoylamino)-N-(2-morpholinoethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-methyl-1-oxobutyl)amino]-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-methylbutanoylamino)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(isovalerylamino)-N-(2-morpholinoethyl)benzamide Formula: C27H36N4O3 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCN4CCOCC4

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCN4CCOCC4

InChI

InChI=1S/C27H36N4O3/c1-20(2)17-26(32)29-23-7-8-25(31-11-9-21-5-3-4-6-22(21)19-31)24(18-23)27(33)28-10-12-30-13-15-34-16-14-30/h3-8,18,20H,9-17,19H2,1-2H3,(H,28,33)(H,29,32)