1-cyclohexyl-6-phenylmethoxy-4-(3-pyrazol-1-ylpropanoyl)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-6-phenylmethoxy-4-(3-pyrazol-1-ylpropanoyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-cyclohexyl-4-(3-pyrazol-1-ylpropanoyl)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[1-oxo-3-(1-pyrazolyl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-6-phenylmethoxy-4-(3-pyrazol-1-ylpropanoyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-cyclohexyl-4-(3-pyrazol-1-ylpropanoyl)-1,4-diazepan-2-one Formula: C24H32N4O3 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CCN3C=CC=N3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CCN3C=CC=N3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3/c29-23(12-15-27-14-7-13-25-27)26-16-22(31-19-20-8-3-1-4-9-20)17-28(24(30)18-26)21-10-5-2-6-11-21/h1,3-4,7-9,13-14,21-22H,2,5-6,10-12,15-19H2