(5R,6R)-6-oxidanyl-5-(phenylmethyl)-1-propanoyl-2,4-dipropyl-1,2,4-triazepan-3-one

Systemtic Name: (5R,6R)-6-oxidanyl-5-(phenylmethyl)-1-propanoyl-2,4-dipropyl-1,2,4-triazepan-3-one Openeye Name: (5R,6R)-5-benzyl-6-hydroxy-1-propanoyl-2,4-dipropyl-1,2,4-triazepan-3-one CAS Name: (5R,6R)-6-hydroxy-1-(1-oxopropyl)-5-(phenylmethyl)-2,4-dipropyl-1,2,4-triazepan-3-one IUPAC Name: (5R,6R)-5-benzyl-6-hydroxy-1-propanoyl-2,4-dipropyl-1,2,4-triazepan-3-one Traditional Name: (5R,6R)-5-benzyl-6-hydroxy-1-propionyl-2,4-dipropyl-1,2,4-triazepan-3-one Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(CN(N(C1=O)CCC)C(=O)CC)O)CC2=CC=CC=C2

Isomeric SMILES

CCCN1[C@@H]([C@@H](CN(N(C1=O)CCC)C(=O)CC)O)CC2=CC=CC=C2

InChI

InChI=1S/C20H31N3O3/c1-4-12-21-17(14-16-10-8-7-9-11-16)18(24)15-23(19(25)6-3)22(13-5-2)20(21)26/h7-11,17-18,24H,4-6,12-15H2,1-3H3/t17-,18-/m1/s1