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

Systemtic Name: 1-(2-methylpropyl)-4-[(3-methylquinoxalin-2-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-isobutyl-4-[(3-methylquinoxalin-2-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-4-[(3-methyl-2-quinoxalinyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-4-[(3-methylquinoxalin-2-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-isobutyl-4-[(3-methylquinoxalin-2-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CN3CC(CN(C(=O)C3)CC(C)C)OCC4=CN=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CN3CC(CN(C(=O)C3)CC(C)C)OCC4=CN=CC=C4

InChI

InChI=1S/C25H31N5O2/c1-18(2)12-30-14-21(32-17-20-7-6-10-26-11-20)13-29(16-25(30)31)15-24-19(3)27-22-8-4-5-9-23(22)28-24/h4-11,18,21H,12-17H2,1-3H3