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

Systemtic Name: 6-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-2-propyl-pyridazin-3-one Openeye Name: 2-propyl-6-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]pyridazin-3-one CAS Name: 6-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-2-propyl-3-pyridazinone IUPAC Name: 6-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-2-propylpyridazin-3-one Traditional Name: 6-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]-2-propyl-pyridazin-3-one Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C21H28N4O2/c1-3-11-25-20(26)10-9-19(22-25)21(27)24-13-4-12-23(14-15-24)16-18-7-5-17(2)6-8-18/h5-10H,3-4,11-16H2,1-2H3