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

Systemtic Name: methyl 3-oxidanylidene-2-[piperidin-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-enoate hydrochloride Openeye Name: methyl 3-oxo-2-[4-piperidyl-[4-(2-pyridyl)piperazin-1-yl]methyl]prop-2-enoate hydrochloride CAS Name: 3-oxo-2-[4-piperidinyl-[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-propenoic acid methyl ester hydrochloride IUPAC Name: methyl 3-oxo-2-[piperidin-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-enoate hydrochloride Traditional Name: 3-keto-2-[4-piperidyl-[4-(2-pyridyl)piperazino]methyl]acrylic acid methyl ester hydrochloride Formula: C19H27ClN4O3 MolecularWeight: 394.89568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C=O)C(C1CCNCC1)N2CCN(CC2)C3=CC=CC=N3.Cl

Isomeric SMILES

COC(=O)C(=C=O)C(C1CCNCC1)N2CCN(CC2)C3=CC=CC=N3.Cl

InChI

InChI=1S/C19H26N4O3.ClH/c1-26-19(25)16(14-24)18(15-5-8-20-9-6-15)23-12-10-22(11-13-23)17-4-2-3-7-21-17;/h2-4,7,15,18,20H,5-6,8-13H2,1H3;1H