1-cyclohexyl-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-cyclohexyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-cyclohexyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-2-one Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)CC3=CC=NN3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)CC3=CC=NN3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O2/c27-22-16-25(13-19-11-12-23-24-19)14-21(28-17-18-7-3-1-4-8-18)15-26(22)20-9-5-2-6-10-20/h1,3-4,7-8,11-12,20-21H,2,5-6,9-10,13-17H2,(H,23,24)