4-[(3-methylphenyl)methyl]-1-(2-methylpyrazol-3-yl)carbonyl-1,4-diazepan-5-one

Systemtic Name: 4-[(3-methylphenyl)methyl]-1-(2-methylpyrazol-3-yl)carbonyl-1,4-diazepan-5-one Openeye Name: 1-(2-methylpyrazole-3-carbonyl)-4-(m-tolylmethyl)-1,4-diazepan-5-one CAS Name: 4-[(3-methylphenyl)methyl]-1-[(2-methyl-3-pyrazolyl)-oxomethyl]-1,4-diazepan-5-one IUPAC Name: 4-[(3-methylphenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)-1,4-diazepan-5-one Traditional Name: 4-(3-methylbenzyl)-1-(2-methylpyrazole-3-carbonyl)-1,4-diazepan-5-one Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)C3=CC=NN3C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)C3=CC=NN3C

InChI

InChI=1S/C18H22N4O2/c1-14-4-3-5-15(12-14)13-22-11-10-21(9-7-17(22)23)18(24)16-6-8-19-20(16)2/h3-6,8,12H,7,9-11,13H2,1-2H3