7-chloranyl-5-methyl-3-phenyl-1-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyridazino[4,5-b]indol-4-one

Systemtic Name: 7-chloranyl-5-methyl-3-phenyl-1-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyridazino[4,5-b]indol-4-one Openeye Name: 1-(4-benzylpiperazine-1-carbonyl)-7-chloro-5-methyl-3-phenyl-pyridazino[4,5-b]indol-4-one CAS Name: 7-chloro-5-methyl-1-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-phenyl-4-pyridazino[4,5-b]indolone IUPAC Name: 1-(4-benzylpiperazine-1-carbonyl)-7-chloro-5-methyl-3-phenylpyridazino[4,5-b]indol-4-one Traditional Name: 1-(4-benzylpiperazine-1-carbonyl)-7-chloro-5-methyl-3-phenyl-pyridazin[4,5-b]indol-4-one Formula: C29H26ClN5O2 MolecularWeight: 512.00204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)Cl)C3=C1C(=O)N(N=C3C(=O)N4CCN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C=CC(=C2)Cl)C3=C1C(=O)N(N=C3C(=O)N4CCN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H26ClN5O2/c1-32-24-18-21(30)12-13-23(24)25-26(31-35(29(37)27(25)32)22-10-6-3-7-11-22)28(36)34-16-14-33(15-17-34)19-20-8-4-2-5-9-20/h2-13,18H,14-17,19H2,1H3