3-oxidanylidene-2-[piperidin-4-yl-(4-pyridin-4-ylpiperazin-1-yl)methyl]prop-2-enoic acid

Systemtic Name: 3-oxidanylidene-2-[piperidin-4-yl-(4-pyridin-4-ylpiperazin-1-yl)methyl]prop-2-enoic acid Openeye Name: 3-oxo-2-[4-piperidyl-[4-(4-pyridyl)piperazin-1-yl]methyl]prop-2-enoic acid CAS Name: 3-oxo-2-[4-piperidinyl-(4-pyridin-4-yl-1-piperazinyl)methyl]-2-propenoic acid IUPAC Name: 3-oxo-2-[piperidin-4-yl-(4-pyridin-4-ylpiperazin-1-yl)methyl]prop-2-enoic acid Traditional Name: 3-keto-2-[4-piperidyl-[4-(4-pyridyl)piperazino]methyl]acrylic acid Formula: C18H24N4O3 MolecularWeight: 344.40816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C(=C=O)C(=O)O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

C1CNCCC1C(C(=C=O)C(=O)O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C18H24N4O3/c23-13-16(18(24)25)17(14-1-5-19-6-2-14)22-11-9-21(10-12-22)15-3-7-20-8-4-15/h3-4,7-8,14,17,19H,1-2,5-6,9-12H2,(H,24,25)