2-[1-(azepan-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[1-(azepan-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[1-(azepan-1-ylmethyl)-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one CAS Name: 2-[[1-(1-azepanyl)-3-(2-oxo-1-pyrrolidinyl)propan-2-yl]thio]-3-(4-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[[1-(azepan-1-ylmethyl)-2-(2-ketopyrrolidino)ethyl]thio]-3-(4-methoxyphenyl)quinazolin-4-one Formula: C28H34N4O3S MolecularWeight: 506.65956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(CN4CCCCCC4)CN5CCCC5=O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(CN4CCCCCC4)CN5CCCC5=O

InChI

InChI=1S/C28H34N4O3S/c1-35-22-14-12-21(13-15-22)32-27(34)24-9-4-5-10-25(24)29-28(32)36-23(20-31-18-8-11-26(31)33)19-30-16-6-2-3-7-17-30/h4-5,9-10,12-15,23H,2-3,6-8,11,16-20H2,1H3