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

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[(3-methylquinoxalin-2-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[(3-methylquinoxalin-2-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-[(3-methyl-2-quinoxalinyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[(3-methylquinoxalin-2-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[(3-methylquinoxalin-2-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C26H29N7O2 MolecularWeight: 471.55416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CN3CC(CN(C(=O)C3)CC4=CN(N=C4)C)OCC5=CN=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CN3CC(CN(C(=O)C3)CC4=CN(N=C4)C)OCC5=CN=CC=C5

InChI

InChI=1S/C26H29N7O2/c1-19-25(30-24-8-4-3-7-23(24)29-19)16-32-14-22(35-18-20-6-5-9-27-10-20)15-33(26(34)17-32)13-21-11-28-31(2)12-21/h3-12,22H,13-18H2,1-2H3