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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-2-thienyl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-2-thiophenyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[(5-methyl-2-thienyl)methyl]-1-p-anisyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN2CC(CN(C(=O)C2)CC3=CC=C(C=C3)OC)OCC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(S1)CN2CC(CN(C(=O)C2)CC3=CC=C(C=C3)OC)OCC4=CC=NC=C4

InChI

InChI=1S/C25H29N3O3S/c1-19-3-8-24(32-19)16-27-14-23(31-18-21-9-11-26-12-10-21)15-28(25(29)17-27)13-20-4-6-22(30-2)7-5-20/h3-12,23H,13-18H2,1-2H3