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

Systemtic Name: methyl 3-oxidanylidene-2-[piperidin-4-ylcarbonyl-(4-pyridin-4-ylpiperazin-1-yl)amino]prop-2-enoate hydrochloride Openeye Name: methyl 3-oxo-2-[piperidine-4-carbonyl-[4-(4-pyridyl)piperazin-1-yl]amino]prop-2-enoate hydrochloride CAS Name: 3-oxo-2-[[oxo(4-piperidinyl)methyl]-(4-pyridin-4-yl-1-piperazinyl)amino]-2-propenoic acid methyl ester hydrochloride IUPAC Name: methyl 3-oxo-2-[piperidine-4-carbonyl-(4-pyridin-4-ylpiperazin-1-yl)amino]prop-2-enoate hydrochloride Traditional Name: 2-[isonipecotoyl-[4-(4-pyridyl)piperazino]amino]-3-keto-acrylic acid methyl ester hydrochloride Formula: C19H26ClN5O4 MolecularWeight: 423.89384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4.ClH/c1-28-19(27)17(14-25)24(18(26)15-2-6-20-7-3-15)23-12-10-22(11-13-23)16-4-8-21-9-5-16;/h4-5,8-9,15,20H,2-3,6-7,10-13H2,1H3;1H