1-(cyclohexylmethyl)-2,4-bis(cyclopropylmethyl)-6-oxidanyl-5-(phenylmethyl)-1,2,4-triazepan-3-one

Systemtic Name: 1-(cyclohexylmethyl)-2,4-bis(cyclopropylmethyl)-6-oxidanyl-5-(phenylmethyl)-1,2,4-triazepan-3-one Openeye Name: 5-benzyl-1-(cyclohexylmethyl)-2,4-bis(cyclopropylmethyl)-6-hydroxy-1,2,4-triazepan-3-one CAS Name: 1-(cyclohexylmethyl)-2,4-bis(cyclopropylmethyl)-6-hydroxy-5-(phenylmethyl)-1,2,4-triazepan-3-one IUPAC Name: 5-benzyl-1-(cyclohexylmethyl)-2,4-bis(cyclopropylmethyl)-6-hydroxy-1,2,4-triazepan-3-one Traditional Name: 5-benzyl-1-(cyclohexylmethyl)-2,4-bis(cyclopropylmethyl)-6-hydroxy-1,2,4-triazepan-3-one Formula: C26H39N3O2 MolecularWeight: 425.60676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CC(C(N(C(=O)N2CC3CC3)CC4CC4)CC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(CC1)CN2CC(C(N(C(=O)N2CC3CC3)CC4CC4)CC5=CC=CC=C5)O

InChI

InChI=1S/C26H39N3O2/c30-25-19-27(16-21-9-5-2-6-10-21)29(18-23-13-14-23)26(31)28(17-22-11-12-22)24(25)15-20-7-3-1-4-8-20/h1,3-4,7-8,21-25,30H,2,5-6,9-19H2