1-[3-(azepan-1-yl)propyl]-3-[1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]urea

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-3-[1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]urea Openeye Name: 1-[3-(azepan-1-yl)propyl]-3-[1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidin-3-yl]urea CAS Name: 1-[3-(1-azepanyl)propyl]-3-[1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]urea IUPAC Name: 1-[3-(azepan-1-yl)propyl]-3-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea Traditional Name: 1-[3-(azepan-1-yl)propyl]-3-[1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidin-3-yl]urea Formula: C22H34N4O4 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC(CC2=O)NC(=O)NCCCN3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2CC(CC2=O)NC(=O)NCCCN3CCCCCC3)OC

InChI

InChI=1S/C22H34N4O4/c1-29-19-9-8-18(15-20(19)30-2)26-16-17(14-21(26)27)24-22(28)23-10-7-13-25-11-5-3-4-6-12-25/h8-9,15,17H,3-7,10-14,16H2,1-2H3,(H2,23,24,28)