4-chloranyl-2-phenyl-5-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazin-1-yl]pyridazin-3-one CAS Name: 4-chloro-5-[4-[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazin-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazino]pyridazin-3-one Formula: C24H22ClN7O2 MolecularWeight: 475.93018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)C4=CC=C(C=C4)CN5C=NC=N5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)C4=CC=C(C=C4)CN5C=NC=N5

InChI

InChI=1S/C24H22ClN7O2/c25-22-21(14-27-32(24(22)34)20-4-2-1-3-5-20)29-10-12-30(13-11-29)23(33)19-8-6-18(7-9-19)15-31-17-26-16-28-31/h1-9,14,16-17H,10-13,15H2