methyl 4-[2-[5-methoxy-4-oxidanylidene-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-methoxy-4-oxidanylidene-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridyl]acetyl]amino]benzoate CAS Name: 4-[[2-[5-methoxy-4-oxo-2-[(4-phenyl-1-piperazinyl)methyl]-1-pyridinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-5-methoxy-2-[(4-phenylpiperazino)methyl]-1-pyridyl]acetyl]amino]benzoic acid methyl ester Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)CN2CCN(CC2)C3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CN(C(=CC1=O)CN2CCN(CC2)C3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H30N4O5/c1-35-25-18-31(19-26(33)28-21-10-8-20(9-11-21)27(34)36-2)23(16-24(25)32)17-29-12-14-30(15-13-29)22-6-4-3-5-7-22/h3-11,16,18H,12-15,17,19H2,1-2H3,(H,28,33)