4-(phenylmethyl)-1-[3-(pyrazol-1-ylmethyl)phenyl]carbonyl-1,4-diazepan-5-one

Systemtic Name: 4-(phenylmethyl)-1-[3-(pyrazol-1-ylmethyl)phenyl]carbonyl-1,4-diazepan-5-one Openeye Name: 4-benzyl-1-[3-(pyrazol-1-ylmethyl)benzoyl]-1,4-diazepan-5-one CAS Name: 1-[oxo-[3-(1-pyrazolylmethyl)phenyl]methyl]-4-(phenylmethyl)-1,4-diazepan-5-one IUPAC Name: 4-benzyl-1-[3-(pyrazol-1-ylmethyl)benzoyl]-1,4-diazepan-5-one Traditional Name: 4-benzyl-1-[3-(pyrazol-1-ylmethyl)benzoyl]-1,4-diazepan-5-one Formula: C23H24N4O2 MolecularWeight: 388.46226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)CN4C=CC=N4

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)CN4C=CC=N4

InChI

InChI=1S/C23H24N4O2/c28-22-10-13-25(14-15-26(22)17-19-6-2-1-3-7-19)23(29)21-9-4-8-20(16-21)18-27-12-5-11-24-27/h1-9,11-12,16H,10,13-15,17-18H2