(E)-3-(4-nitrophenyl)-N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide

Systemtic Name: (E)-3-(4-nitrophenyl)-N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide Openeye Name: (E)-N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-nitrophenyl)acrylamide Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O4/c29-24(13-8-18-6-11-23(12-7-18)28(31)32)26-22-10-9-19-14-15-27(17-21(19)16-22)25(30)20-4-2-1-3-5-20/h1-13,16H,14-15,17H2,(H,26,29)/b13-8+