ethyl 4-[[(3E)-3-(2-methyl-1H-quinolin-4-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[(3E)-3-(2-methyl-1H-quinolin-4-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[(3E)-3-(2-methyl-1H-quinolin-4-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[(3E)-3-(2-methyl-1H-quinolin-4-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3E)-3-(2-methyl-1H-quinolin-4-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[(3E)-6-keto-3-(2-methyl-1H-quinolin-4-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC(=C3C=C(NC4=CC=CC=C43)C)C=CC2=O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=C/C(=C/3\C=C(NC4=CC=CC=C43)C)/C=CC2=O

InChI

InChI=1S/C24H27N3O3/c1-3-30-24(29)27-12-10-26(11-13-27)16-19-15-18(8-9-23(19)28)21-14-17(2)25-22-7-5-4-6-20(21)22/h4-9,14-15,25H,3,10-13,16H2,1-2H3/b21-18+