3-nitro-N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 3-nitro-N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitro-benzamide CAS Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitrobenzamide IUPAC Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitrobenzamide Traditional Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitro-benzamide Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O4/c27-22(18-7-4-8-21(14-18)26(29)30)24-20-10-9-16-11-12-25(15-19(16)13-20)23(28)17-5-2-1-3-6-17/h1-10,13-14H,11-12,15H2,(H,24,27)