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

Systemtic Name: N-[3-[(5-chloranyl-6-oxidanylidene-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]-1-(4-cyanophenyl)piperidine-4-carboxamide Openeye Name: N-[3-[(5-chloro-6-oxo-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]-1-(4-cyanophenyl)piperidine-4-carboxamide CAS Name: N-[3-[[5-chloro-6-oxo-4-(1-piperazinyl)-1-pyridazinyl]methyl]-2-methylphenyl]-1-(4-cyanophenyl)-4-piperidinecarboxamide IUPAC Name: N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-1-(4-cyanophenyl)piperidine-4-carboxamide Traditional Name: N-[3-[(5-chloro-6-keto-4-piperazino-pyridazin-1-yl)methyl]-2-methyl-phenyl]-1-(4-cyanophenyl)isonipecotamide Formula: C29H32ClN7O2 MolecularWeight: 546.06308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)C3=CC=C(C=C3)C#N)CN4C(=O)C(=C(C=N4)N5CCNCC5)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)C3=CC=C(C=C3)C#N)CN4C(=O)C(=C(C=N4)N5CCNCC5)Cl

InChI

InChI=1S/C29H32ClN7O2/c1-20-23(19-37-29(39)27(30)26(18-33-37)36-15-11-32-12-16-36)3-2-4-25(20)34-28(38)22-9-13-35(14-10-22)24-7-5-21(17-31)6-8-24/h2-8,18,22,32H,9-16,19H2,1H3,(H,34,38)