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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-[(3-nitrophenyl)carbonylamino]benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-[(3-nitrobenzoyl)amino]benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-[[(3-nitrophenyl)-oxomethyl]amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-[(3-nitrobenzoyl)amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-[(3-nitrobenzoyl)amino]benzamide Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H28N4O5/c1-36-15-5-13-28-27(33)24-17-22(29-26(32)20-8-4-9-23(16-20)31(34)35)10-11-25(24)30-14-12-19-6-2-3-7-21(19)18-30/h2-4,6-11,16-17H,5,12-15,18H2,1H3,(H,28,33)(H,29,32)