N-[3-[3-(dimethylamino)propylcarbamoyl]-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[3-(dimethylamino)propylcarbamoyl]-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[3-(dimethylamino)propylcarbamoyl]-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[3-(dimethylamino)propylamino]-oxomethyl]-4-(1-pyrrolidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[3-(dimethylamino)propylcarbamoyl]-4-pyrrolidin-1-ylphenyl]adamantane-1-carboxamide Traditional Name: N-[3-[3-(dimethylamino)propylcarbamoyl]-4-pyrrolidino-phenyl]adamantane-1-carboxamide Formula: C27H40N4O2 MolecularWeight: 452.6321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCCC5

Isomeric SMILES

CN(C)CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCCC5

InChI

InChI=1S/C27H40N4O2/c1-30(2)9-5-8-28-25(32)23-15-22(6-7-24(23)31-10-3-4-11-31)29-26(33)27-16-19-12-20(17-27)14-21(13-19)18-27/h6-7,15,19-21H,3-5,8-14,16-18H2,1-2H3,(H,28,32)(H,29,33)