6-(benzimidazol-1-yl)-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one

Systemtic Name: 6-(benzimidazol-1-yl)-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one Openeye Name: 6-(benzimidazol-1-yl)-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one CAS Name: 6-(1-benzimidazolyl)-2-[7-[4-(2-methoxyphenyl)-1-piperazinyl]heptyl]-3-pyridazinone IUPAC Name: 6-(benzimidazol-1-yl)-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one Traditional Name: 6-(benzimidazol-1-yl)-2-[7-[4-(2-methoxyphenyl)piperazino]heptyl]pyridazin-3-one Formula: C29H36N6O2 MolecularWeight: 500.63514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCCCCN3C(=O)C=CC(=N3)N4C=NC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCCCCN3C(=O)C=CC(=N3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C29H36N6O2/c1-37-27-14-8-7-13-26(27)33-21-19-32(20-22-33)17-9-3-2-4-10-18-35-29(36)16-15-28(31-35)34-23-30-24-11-5-6-12-25(24)34/h5-8,11-16,23H,2-4,9-10,17-22H2,1H3