N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-[3-(2-methyl-1-benzimidazolyl)propylamino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylamino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propylcarbamoyl]propyl]adamantane-1-carboxamide Formula: C27H38N4O2 MolecularWeight: 450.61622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCCNC(=O)C(C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCCNC(=O)C(C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H38N4O2/c1-17(2)24(30-26(33)27-14-19-11-20(15-27)13-21(12-19)16-27)25(32)28-9-6-10-31-18(3)29-22-7-4-5-8-23(22)31/h4-5,7-8,17,19-21,24H,6,9-16H2,1-3H3,(H,28,32)(H,30,33)