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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)-N-(2-morpholinoethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-morpholinyl)ethyl]-5-(1-oxoheptylamino)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(heptanoylamino)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(enanthylamino)-N-(2-morpholinoethyl)benzamide Formula: C29H40N4O3 MolecularWeight: 492.6529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N4O3/c1-2-3-4-5-10-28(34)31-25-11-12-27(33-15-13-23-8-6-7-9-24(23)22-33)26(21-25)29(35)30-14-16-32-17-19-36-20-18-32/h6-9,11-12,21H,2-5,10,13-20,22H2,1H3,(H,30,35)(H,31,34)