N-[3-(cyclopropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(cyclopropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(cyclopropylcarbamoyl)-4-(4-methyl-1-piperidyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[(cyclopropylamino)-oxomethyl]-4-(4-methyl-1-piperidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(cyclopropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide Traditional Name: N-[3-(cyclopropylcarbamoyl)-4-(4-methylpiperidino)phenyl]adamantane-1-carboxamide Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NC6CC6

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NC6CC6

InChI

InChI=1S/C27H37N3O2/c1-17-6-8-30(9-7-17)24-5-4-22(13-23(24)25(31)28-21-2-3-21)29-26(32)27-14-18-10-19(15-27)12-20(11-18)16-27/h4-5,13,17-21H,2-3,6-12,14-16H2,1H3,(H,28,31)(H,29,32)