6-oxidanyl-1-(pyridin-3-ylmethyl)-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,4-diazepan-2-one

Systemtic Name: 6-oxidanyl-1-(pyridin-3-ylmethyl)-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,4-diazepan-2-one Openeye Name: 6-hydroxy-1-(3-pyridylmethyl)-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,4-diazepan-2-one CAS Name: 6-hydroxy-1-(3-pyridinylmethyl)-4-[2-(2,6,6-trimethyl-1-cyclohexenyl)ethyl]-1,4-diazepan-2-one IUPAC Name: 6-hydroxy-1-(pyridin-3-ylmethyl)-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,4-diazepan-2-one Traditional Name: 6-hydroxy-1-(3-pyridylmethyl)-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,4-diazepan-2-one Formula: C22H33N3O2 MolecularWeight: 371.51632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)CCN2CC(CN(C(=O)C2)CC3=CN=CC=C3)O

Isomeric SMILES

CC1=C(C(CCC1)(C)C)CCN2CC(CN(C(=O)C2)CC3=CN=CC=C3)O

InChI

InChI=1S/C22H33N3O2/c1-17-6-4-9-22(2,3)20(17)8-11-24-14-19(26)15-25(21(27)16-24)13-18-7-5-10-23-12-18/h5,7,10,12,19,26H,4,6,8-9,11,13-16H2,1-3H3