methyl 4-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[6-(3-oxopiperazin-1-yl)-3-pyridyl]carbamoyl]benzoate CAS Name: 4-[oxo-[[6-(3-oxo-1-piperazinyl)-3-pyridinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(3-oxopiperazin-1-yl)pyridin-3-yl]carbamoyl]benzoate Traditional Name: 4-[[6-(3-ketopiperazino)-3-pyridyl]carbamoyl]benzoic acid methyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C18H18N4O4/c1-26-18(25)13-4-2-12(3-5-13)17(24)21-14-6-7-15(20-10-14)22-9-8-19-16(23)11-22/h2-7,10H,8-9,11H2,1H3,(H,19,23)(H,21,24)