methyl 2-[ethanoyl-[4-[(4-pyridin-4-ylpiperazin-1-yl)carbonylamino]phenyl]amino]ethanoate

Systemtic Name: methyl 2-[ethanoyl-[4-[(4-pyridin-4-ylpiperazin-1-yl)carbonylamino]phenyl]amino]ethanoate Openeye Name: methyl 2-[N-acetyl-4-[[4-(4-pyridyl)piperazine-1-carbonyl]amino]anilino]acetate CAS Name: 2-[N-acetyl-4-[[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]amino]anilino]acetic acid methyl ester IUPAC Name: methyl 2-[N-acetyl-4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]anilino]acetate Traditional Name: 2-[N-acetyl-4-[[4-(4-pyridyl)piperazine-1-carbonyl]amino]anilino]acetic acid methyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC(=O)OC)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(=O)N(CC(=O)OC)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5O4/c1-16(27)26(15-20(28)30-2)19-5-3-17(4-6-19)23-21(29)25-13-11-24(12-14-25)18-7-9-22-10-8-18/h3-10H,11-15H2,1-2H3,(H,23,29)