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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O3/c1-2-3-8-26(32)29-23-9-10-25(31-13-11-21-6-4-5-7-22(21)20-31)24(19-23)27(33)28-12-14-30-15-17-34-18-16-30/h4-7,9-10,19H,2-3,8,11-18,20H2,1H3,(H,28,33)(H,29,32)