1-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 1-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-isobutyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-isobutyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-2-one Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NN1)C(=O)N2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3/c1-15(2)10-24-11-18(28-14-17-7-5-4-6-8-17)12-25(13-20(24)26)21(27)19-9-16(3)22-23-19/h4-9,15,18H,10-14H2,1-3H3,(H,22,23)