1-cyclohexyl-4-[3-(1-methylpyrazol-4-yl)propanoyl]-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-[3-(1-methylpyrazol-4-yl)propanoyl]-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-cyclohexyl-4-[3-(1-methylpyrazol-4-yl)propanoyl]-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[3-(1-methyl-4-pyrazolyl)-1-oxopropyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-[3-(1-methylpyrazol-4-yl)propanoyl]-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-cyclohexyl-4-[3-(1-methylpyrazol-4-yl)propanoyl]-1,4-diazepan-2-one Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O3/c1-27-15-21(14-26-27)12-13-24(30)28-16-23(32-19-20-8-4-2-5-9-20)17-29(25(31)18-28)22-10-6-3-7-11-22/h2,4-5,8-9,14-15,22-23H,3,6-7,10-13,16-19H2,1H3