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

Systemtic Name: (E)-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-nitrophenyl)acrylamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4/c1-15(2)22(27)24-12-11-17-6-7-19(13-18(17)14-24)23-21(26)10-5-16-3-8-20(9-4-16)25(28)29/h3-10,13,15H,11-12,14H2,1-2H3,(H,23,26)/b10-5+