4-(2,5-dimethylpyrazol-3-yl)carbonyl-6-oxidanyl-1-(phenylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-(2,5-dimethylpyrazol-3-yl)carbonyl-6-oxidanyl-1-(phenylmethyl)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-(2,5-dimethylpyrazole-3-carbonyl)-6-hydroxy-1,4-diazepan-2-one CAS Name: 4-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-6-hydroxy-1-(phenylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-(2,5-dimethylpyrazole-3-carbonyl)-6-hydroxy-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-(2,5-dimethylpyrazole-3-carbonyl)-6-hydroxy-1,4-diazepan-2-one Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)O)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)O)C

InChI

InChI=1S/C18H22N4O3/c1-13-8-16(20(2)19-13)18(25)22-11-15(23)10-21(17(24)12-22)9-14-6-4-3-5-7-14/h3-8,15,23H,9-12H2,1-2H3