methyl 4-oxidanylidene-2-[piperidin-1-yl-(4-pyridin-4-ylpiperazin-1-yl)amino]but-3-enoate dihydrochloride

Systemtic Name: methyl 4-oxidanylidene-2-[piperidin-1-yl-(4-pyridin-4-ylpiperazin-1-yl)amino]but-3-enoate dihydrochloride Openeye Name: methyl 4-oxo-2-[1-piperidyl-[4-(4-pyridyl)piperazin-1-yl]amino]but-3-enoate dihydrochloride CAS Name: 4-oxo-2-[1-piperidinyl-(4-pyridin-4-yl-1-piperazinyl)amino]-3-butenoic acid methyl ester dihydrochloride IUPAC Name: methyl 4-oxo-2-[piperidin-1-yl-(4-pyridin-4-ylpiperazin-1-yl)amino]but-3-enoate dihydrochloride Traditional Name: 4-keto-2-[piperidino-[4-(4-pyridyl)piperazino]amino]but-3-enoic acid methyl ester dihydrochloride Formula: C19H29Cl2N5O3 MolecularWeight: 446.37126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C=C=O)N(N1CCCCC1)N2CCN(CC2)C3=CC=NC=C3.Cl.Cl

Isomeric SMILES

COC(=O)C(C=C=O)N(N1CCCCC1)N2CCN(CC2)C3=CC=NC=C3.Cl.Cl

InChI

InChI=1S/C19H27N5O3.2ClH/c1-27-19(26)18(7-16-25)24(22-10-3-2-4-11-22)23-14-12-21(13-15-23)17-5-8-20-9-6-17;;/h5-9,18H,2-4,10-15H2,1H3;2*1H