1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoyl]-4-(phenylmethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoyl]-4-(phenylmethyl)-1,4-diazepan-5-one Openeye Name: 4-benzyl-1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]-1,4-diazepan-5-one CAS Name: 1-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]-4-(phenylmethyl)-1,4-diazepan-5-one IUPAC Name: 4-benzyl-1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4-diazepan-5-one Traditional Name: 4-benzyl-1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]-1,4-diazepan-5-one Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCC(=O)N(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCC(=O)N(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-19-23(20(2)29(26-19)22-11-7-4-8-12-22)17-25(31)27-14-13-24(30)28(16-15-27)18-21-9-5-3-6-10-21/h3-12H,13-18H2,1-2H3