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

Systemtic Name: 3-[4-[[3-[(5-chloranyl-6-oxidanylidene-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]carbamoyl]phenyl]benzamide Openeye Name: 3-[4-[[3-[(5-chloro-6-oxo-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]carbamoyl]phenyl]benzamide CAS Name: 3-[4-[[3-[[5-chloro-6-oxo-4-(1-piperazinyl)-1-pyridazinyl]methyl]-2-methylanilino]-oxomethyl]phenyl]benzamide IUPAC Name: 3-[4-[[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]carbamoyl]phenyl]benzamide Traditional Name: 3-[4-[[3-[(5-chloro-6-keto-4-piperazino-pyridazin-1-yl)methyl]-2-methyl-phenyl]carbamoyl]phenyl]benzamide Formula: C30H29ClN6O3 MolecularWeight: 557.04266

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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)C(=O)N)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)C(=O)N)CN4C(=O)C(=C(C=N4)N5CCNCC5)Cl

InChI

InChI=1S/C30H29ClN6O3/c1-19-24(18-37-30(40)27(31)26(17-34-37)36-14-12-33-13-15-36)6-3-7-25(19)35-29(39)21-10-8-20(9-11-21)22-4-2-5-23(16-22)28(32)38/h2-11,16-17,33H,12-15,18H2,1H3,(H2,32,38)(H,35,39)