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

Systemtic Name: 4-[(3-methylquinoxalin-2-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-[(3-methylquinoxalin-2-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(3-methyl-2-quinoxalinyl)methyl]-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-[(3-methylquinoxalin-2-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-[(3-methylquinoxalin-2-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O2/c1-21-27(31-26-12-6-5-11-25(26)30-21)18-32-16-24(35-20-22-8-3-2-4-9-22)17-33(28(34)19-32)15-23-10-7-13-29-14-23/h2-14,24H,15-20H2,1H3