N-[3-azanyl-1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: N-[3-azanyl-1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-amino-1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]-3-oxo-propyl]benzamide CAS Name: N-[3-amino-1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]-3-oxopropyl]benzamide IUPAC Name: N-[3-amino-1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]-3-oxopropyl]benzamide Traditional Name: N-[3-amino-1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]-3-keto-propyl]benzamide Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O4/c26-24(30)15-21(27-25(31)18-7-2-1-3-8-18)19-10-11-22(23(14-19)29(32)33)28-13-12-17-6-4-5-9-20(17)16-28/h1-11,14,21H,12-13,15-16H2,(H2,26,30)(H,27,31)