1-cyclohexyl-4-[(3-methylquinoxalin-2-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-[(3-methylquinoxalin-2-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-[(3-methylquinoxalin-2-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[(3-methyl-2-quinoxalinyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-[(3-methylquinoxalin-2-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-[(3-methylquinoxalin-2-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CN3CC(CN(C(=O)C3)C4CCCCC4)OCC5=CN=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CN3CC(CN(C(=O)C3)C4CCCCC4)OCC5=CN=CC=C5

InChI

InChI=1S/C27H33N5O2/c1-20-26(30-25-12-6-5-11-24(25)29-20)17-31-15-23(34-19-21-8-7-13-28-14-21)16-32(27(33)18-31)22-9-3-2-4-10-22/h5-8,11-14,22-23H,2-4,9-10,15-19H2,1H3