1-cyclohexyl-4-(2-methylpyrazol-3-yl)carbonyl-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-(2-methylpyrazol-3-yl)carbonyl-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[(2-methyl-3-pyrazolyl)-oxomethyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepan-2-one Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C(=CC=N1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O3/c1-25-21(12-13-24-25)23(29)26-14-20(30-17-18-8-4-2-5-9-18)15-27(22(28)16-26)19-10-6-3-7-11-19/h2,4-5,8-9,12-13,19-20H,3,6-7,10-11,14-17H2,1H3