N-[1-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[1-[3-methyl-4-(4-methyl-1-piperazinyl)anilino]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-keto-1-methyl-2-[3-methyl-4-(4-methylpiperazino)anilino]ethyl]adamantane-1-carboxamide Formula: C26H38N4O2 MolecularWeight: 438.60552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCN(CC5)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCN(CC5)C

InChI

InChI=1S/C26H38N4O2/c1-17-10-22(4-5-23(17)30-8-6-29(3)7-9-30)28-24(31)18(2)27-25(32)26-14-19-11-20(15-26)13-21(12-19)16-26/h4-5,10,18-21H,6-9,11-16H2,1-3H3,(H,27,32)(H,28,31)