N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidino]-3-keto-propyl]adamantane-1-carboxamide Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O4/c1-31-20-5-6-21(23(13-20)32-2)22-4-3-9-28(22)24(29)7-8-27-25(30)26-14-17-10-18(15-26)12-19(11-17)16-26/h5-6,13,17-19,22H,3-4,7-12,14-16H2,1-2H3,(H,27,30)