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

Systemtic Name: (E)-N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-nitrophenyl)acrylamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4/c26-21(10-3-15-1-8-20(9-2-15)25(28)29)23-19-7-6-16-11-12-24(14-18(16)13-19)22(27)17-4-5-17/h1-3,6-10,13,17H,4-5,11-12,14H2,(H,23,26)/b10-3+