6-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one

Systemtic Name: 6-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one Openeye Name: 6-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one CAS Name: 6-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-2-(2-phenoxyethyl)-3-pyridazinone IUPAC Name: 6-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one Traditional Name: 6-[4-(2-methylbenzyl)-1,4-diazepane-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c1-21-8-5-6-9-22(21)20-28-14-7-15-29(17-16-28)26(32)24-12-13-25(31)30(27-24)18-19-33-23-10-3-2-4-11-23/h2-6,8-13H,7,14-20H2,1H3