1-[(4-methoxyphenyl)methyl]-4-(5-oxidanylidene-1-prop-2-enyl-pyrrolidin-3-yl)carbonyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-(5-oxidanylidene-1-prop-2-enyl-pyrrolidin-3-yl)carbonyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(1-allyl-5-oxo-pyrrolidine-3-carbonyl)-1-[(4-methoxyphenyl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-[(4-methoxyphenyl)methyl]-4-[oxo-(5-oxo-1-prop-2-enyl-3-pyrrolidinyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(1-allyl-5-keto-pyrrolidine-3-carbonyl)-1-p-anisyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)C3CC(=O)N(C3)CC=C)OCC4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)C3CC(=O)N(C3)CC=C)OCC4=CC=NC=C4

InChI

InChI=1S/C27H32N4O5/c1-3-12-29-15-22(13-25(29)32)27(34)31-17-24(36-19-21-8-10-28-11-9-21)16-30(26(33)18-31)14-20-4-6-23(35-2)7-5-20/h3-11,22,24H,1,12-19H2,2H3