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

Systemtic Name: 4-[(3-methylquinoxalin-2-yl)methyl]-6-oxidanyl-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-hydroxy-4-[(3-methylquinoxalin-2-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 6-hydroxy-4-[(3-methyl-2-quinoxalinyl)methyl]-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 6-hydroxy-4-[(3-methylquinoxalin-2-yl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-hydroxy-4-[(3-methylquinoxalin-2-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CN3CC(CN(C(=O)C3)CC4=CN=CC=C4)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CN3CC(CN(C(=O)C3)CC4=CN=CC=C4)O

InChI

InChI=1S/C21H23N5O2/c1-15-20(24-19-7-3-2-6-18(19)23-15)13-25-11-17(27)12-26(21(28)14-25)10-16-5-4-8-22-9-16/h2-9,17,27H,10-14H2,1H3