4-(2,5-dimethylpyrazol-3-yl)carbonyl-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 4-(2,5-dimethylpyrazol-3-yl)carbonyl-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-(2,5-dimethylpyrazole-3-carbonyl)-1-isobutyl-1,4-diazepan-2-one CAS Name: 4-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 4-(2,5-dimethylpyrazole-3-carbonyl)-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-(2,5-dimethylpyrazole-3-carbonyl)-1-isobutyl-1,4-diazepan-2-one Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=C3)C

InChI

InChI=1S/C22H30N4O3/c1-16(2)11-25-12-19(29-15-18-8-6-5-7-9-18)13-26(14-21(25)27)22(28)20-10-17(3)23-24(20)4/h5-10,16,19H,11-15H2,1-4H3