4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-isobutyl-1,4-diazepan-2-one CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-isobutyl-1,4-diazepan-2-one Formula: C22H32N4O2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C=C1CN2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=C3)C

InChI

InChI=1S/C22H32N4O2/c1-17(2)10-26-14-21(28-16-19-8-6-5-7-9-19)13-25(15-22(26)27)12-20-11-24(4)23-18(20)3/h5-9,11,17,21H,10,12-16H2,1-4H3