2-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 2-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-2-[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-yl]propanamide CAS Name: 2-[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]propanamide Traditional Name: N-(benzylcarbamoyl)-2-[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazino]propionamide Formula: C25H27ClN6O3 MolecularWeight: 494.97328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H27ClN6O3/c1-18(23(33)29-25(35)27-16-19-8-4-2-5-9-19)30-12-14-31(15-13-30)21-17-28-32(24(34)22(21)26)20-10-6-3-7-11-20/h2-11,17-18H,12-16H2,1H3,(H2,27,29,33,35)