(E)-N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-butyl-N-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-nitrophenyl)acrylamide Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O4/c1-3-4-16-26(24(29)14-11-20-9-12-22(13-10-20)28(31)32)18-25(30)27-17-15-21-7-5-6-8-23(21)19(27)2/h5-14,19H,3-4,15-18H2,1-2H3/b14-11+