ethyl 3-[[4-[1-(4-methylphenyl)-6-oxidanylidene-pyridazin-3-yl]piperazin-1-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[[4-[1-(4-methylphenyl)-6-oxidanylidene-pyridazin-3-yl]piperazin-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 3-[[4-[6-oxo-1-(p-tolyl)pyridazin-3-yl]piperazine-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[4-[1-(4-methylphenyl)-6-oxo-3-pyridazinyl]-1-piperazinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[4-[6-keto-1-(p-tolyl)pyridazin-3-yl]piperazine-1-carbonyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H31N5O4/c1-3-36-26(34)19-23(21-7-5-4-6-8-21)28-27(35)31-17-15-30(16-18-31)24-13-14-25(33)32(29-24)22-11-9-20(2)10-12-22/h4-14,23H,3,15-19H2,1-2H3,(H,28,35)