1-(cyclohexylmethyl)-6-oxidanyl-5-(phenylmethyl)-2,4-di(propan-2-yl)-1,2,4-triazepan-3-one

Systemtic Name: 1-(cyclohexylmethyl)-6-oxidanyl-5-(phenylmethyl)-2,4-di(propan-2-yl)-1,2,4-triazepan-3-one Openeye Name: 5-benzyl-1-(cyclohexylmethyl)-6-hydroxy-2,4-diisopropyl-1,2,4-triazepan-3-one CAS Name: 1-(cyclohexylmethyl)-6-hydroxy-5-(phenylmethyl)-2,4-di(propan-2-yl)-1,2,4-triazepan-3-one IUPAC Name: 5-benzyl-1-(cyclohexylmethyl)-6-hydroxy-2,4-di(propan-2-yl)-1,2,4-triazepan-3-one Traditional Name: 5-benzyl-1-(cyclohexylmethyl)-6-hydroxy-2,4-diisopropyl-1,2,4-triazepan-3-one Formula: C24H39N3O2 MolecularWeight: 401.58536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(C(CN(N(C1=O)C(C)C)CC2CCCCC2)O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(C(CN(N(C1=O)C(C)C)CC2CCCCC2)O)CC3=CC=CC=C3

InChI

InChI=1S/C24H39N3O2/c1-18(2)26-22(15-20-11-7-5-8-12-20)23(28)17-25(27(19(3)4)24(26)29)16-21-13-9-6-10-14-21/h5,7-8,11-12,18-19,21-23,28H,6,9-10,13-17H2,1-4H3