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

Systemtic Name: 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one Openeye Name: 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-4-(o-tolylmethyl)-1,4-diazepan-5-one CAS Name: 1-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one IUPAC Name: 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one Traditional Name: 1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-4-(2-methylbenzyl)-1,4-diazepan-5-one Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CCC2=O)C(=O)C3=CC=C(C=C3)N4C(=CC(=N4)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CCC2=O)C(=O)C3=CC=C(C=C3)N4C(=CC(=N4)C)C

InChI

InChI=1S/C25H28N4O2/c1-18-6-4-5-7-22(18)17-28-15-14-27(13-12-24(28)30)25(31)21-8-10-23(11-9-21)29-20(3)16-19(2)26-29/h4-11,16H,12-15,17H2,1-3H3