ethyl (E)-3-[3-aminocarbonyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-aminocarbonyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[3-carbamoyl-5-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]prop-2-enoate CAS Name: (E)-3-[3-carbamoyl-5-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-carbamoyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-carbamoyl-5-[[4-(2-pyridyl)piperazino]methyl]phenyl]acrylic acid ethyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=CC(=C1)CN2CCN(CC2)C3=CC=CC=N3)C(=O)N

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=CC(=C1)CN2CCN(CC2)C3=CC=CC=N3)C(=O)N

InChI

InChI=1S/C22H26N4O3/c1-2-29-21(27)7-6-17-13-18(15-19(14-17)22(23)28)16-25-9-11-26(12-10-25)20-5-3-4-8-24-20/h3-8,13-15H,2,9-12,16H2,1H3,(H2,23,28)/b7-6+