N-[3-[(5-chloranyl-6-oxidanylidene-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]-4-phenyl-benzamide

Systemtic Name: N-[3-[(5-chloranyl-6-oxidanylidene-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]-4-phenyl-benzamide Openeye Name: N-[3-[(5-chloro-6-oxo-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]-4-phenyl-benzamide CAS Name: N-[3-[[5-chloro-6-oxo-4-(1-piperazinyl)-1-pyridazinyl]methyl]-2-methylphenyl]-4-phenylbenzamide IUPAC Name: N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-4-phenylbenzamide Traditional Name: N-[3-[(5-chloro-6-keto-4-piperazino-pyridazin-1-yl)methyl]-2-methyl-phenyl]-4-phenyl-benzamide Formula: C29H28ClN5O2 MolecularWeight: 514.01792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CN4C(=O)C(=C(C=N4)N5CCNCC5)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CN4C(=O)C(=C(C=N4)N5CCNCC5)Cl

InChI

InChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)