1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one

Systemtic Name: 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one Openeye Name: 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(o-tolylmethyl)-1,4-diazepan-5-one CAS Name: 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-oxopropyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one IUPAC Name: 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one Traditional Name: 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylbenzyl)-1,4-diazepan-5-one Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CCC2=O)C(=O)CCC3=C(NN=C3C)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CCC2=O)C(=O)CCC3=C(NN=C3C)C

InChI

InChI=1S/C21H28N4O2/c1-15-6-4-5-7-18(15)14-25-13-12-24(11-10-21(25)27)20(26)9-8-19-16(2)22-23-17(19)3/h4-7H,8-14H2,1-3H3,(H,22,23)