1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-p-anisyl-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C24H29N5O3 MolecularWeight: 435.51876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CN2CC(CN(C(=O)C2)CC3=CC=C(C=C3)OC)OCC4=CN=CC=C4

Isomeric SMILES

CC1=C(N=CN1)CN2CC(CN(C(=O)C2)CC3=CC=C(C=C3)OC)OCC4=CN=CC=C4

InChI

InChI=1S/C24H29N5O3/c1-18-23(27-17-26-18)14-28-12-22(32-16-20-4-3-9-25-10-20)13-29(24(30)15-28)11-19-5-7-21(31-2)8-6-19/h3-10,17,22H,11-16H2,1-2H3,(H,26,27)