1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-2-one Openeye Name: 1-[(4-methoxyphenyl)methyl]-6-(3-pyridylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-[(4-methoxyphenyl)methyl]-6-(3-pyridinylmethoxy)-4-(5-quinoxalinylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-2-one Traditional Name: 1-p-anisyl-6-(3-pyridylmethoxy)-4-(quinoxalin-5-ylmethyl)-1,4-diazepan-2-one Formula: C28H29N5O3 MolecularWeight: 483.56156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)CC3=C4C(=CC=C3)N=CC=N4)OCC5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)CC3=C4C(=CC=C3)N=CC=N4)OCC5=CN=CC=C5

InChI

InChI=1S/C28H29N5O3/c1-35-24-9-7-21(8-10-24)15-33-18-25(36-20-22-4-3-11-29-14-22)17-32(19-27(33)34)16-23-5-2-6-26-28(23)31-13-12-30-26/h2-14,25H,15-20H2,1H3