N-[4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[2-(2,4-dimethoxyphenyl)pyrrolidino]-4-keto-butyl]adamantane-1-carboxamide Formula: C27H38N2O4 MolecularWeight: 454.60162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CCCN2C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C27H38N2O4/c1-32-21-7-8-22(24(14-21)33-2)23-5-4-10-29(23)25(30)6-3-9-28-26(31)27-15-18-11-19(16-27)13-20(12-18)17-27/h7-8,14,18-20,23H,3-6,9-13,15-17H2,1-2H3,(H,28,31)