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

Systemtic Name: ethyl 3-[[4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 3-[[4-(6-oxo-1-phenyl-pyridazin-3-yl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[oxo-[4-(6-oxo-1-phenyl-3-pyridazinyl)-1-piperazinyl]methyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(6-oxo-1-phenylpyridazin-3-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[4-(6-keto-1-phenyl-pyridazin-3-yl)piperazine-1-carbonyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C26H29N5O4 MolecularWeight: 475.53956

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O4/c1-2-35-25(33)19-22(20-9-5-3-6-10-20)27-26(34)30-17-15-29(16-18-30)23-13-14-24(32)31(28-23)21-11-7-4-8-12-21/h3-14,22H,2,15-19H2,1H3,(H,27,34)