2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)-5-[(3-nitrophenyl)carbonylamino]benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)-5-[(3-nitrophenyl)carbonylamino]benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)-5-[(3-nitrobenzoyl)amino]benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-morpholinyl)ethyl]-5-[[(3-nitrophenyl)-oxomethyl]amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)-5-[(3-nitrobenzoyl)amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)-5-[(3-nitrobenzoyl)amino]benzamide Formula: C29H31N5O5 MolecularWeight: 529.58694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NCCN5CCOCC5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NCCN5CCOCC5

InChI

InChI=1S/C29H31N5O5/c35-28(22-6-3-7-25(18-22)34(37)38)31-24-8-9-27(33-12-10-21-4-1-2-5-23(21)20-33)26(19-24)29(36)30-11-13-32-14-16-39-17-15-32/h1-9,18-19H,10-17,20H2,(H,30,36)(H,31,35)