methyl 4-oxidanylidene-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyridin-3-yl]methylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyridin-3-yl]methylamino]butanoate Openeye Name: methyl 4-oxo-4-[[2-[4-(2-pyridyl)piperazin-1-yl]-3-pyridyl]methylamino]butanoate CAS Name: 4-oxo-4-[[2-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinyl]methylamino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyridin-3-yl]methylamino]butanoate Traditional Name: 4-keto-4-[[2-[4-(2-pyridyl)piperazino]-3-pyridyl]methylamino]butyric acid methyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NCC1=C(N=CC=C1)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

COC(=O)CCC(=O)NCC1=C(N=CC=C1)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C20H25N5O3/c1-28-19(27)8-7-18(26)23-15-16-5-4-10-22-20(16)25-13-11-24(12-14-25)17-6-2-3-9-21-17/h2-6,9-10H,7-8,11-15H2,1H3,(H,23,26)