N-[3-[(5-chloranyl-6-oxidanylidene-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]-4-quinolin-8-yl-benzamide

Systemtic Name: N-[3-[(5-chloranyl-6-oxidanylidene-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]-4-quinolin-8-yl-benzamide Openeye Name: N-[3-[(5-chloro-6-oxo-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]-4-(8-quinolyl)benzamide CAS Name: N-[3-[[5-chloro-6-oxo-4-(1-piperazinyl)-1-pyridazinyl]methyl]-2-methylphenyl]-4-(8-quinolinyl)benzamide IUPAC Name: N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-4-quinolin-8-ylbenzamide Traditional Name: N-[3-[(5-chloro-6-keto-4-piperazino-pyridazin-1-yl)methyl]-2-methyl-phenyl]-4-(8-quinolyl)benzamide Formula: C32H29ClN6O2 MolecularWeight: 565.06466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C3=CC=CC4=C3N=CC=C4)CN5C(=O)C(=C(C=N5)N6CCNCC6)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C3=CC=CC4=C3N=CC=C4)CN5C(=O)C(=C(C=N5)N6CCNCC6)Cl

InChI

InChI=1S/C32H29ClN6O2/c1-21-25(20-39-32(41)29(33)28(19-36-39)38-17-15-34-16-18-38)6-3-9-27(21)37-31(40)24-12-10-22(11-13-24)26-8-2-5-23-7-4-14-35-30(23)26/h2-14,19,34H,15-18,20H2,1H3,(H,37,40)