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

Systemtic Name: N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[3-methyl-4-(4-methyl-1-piperazinyl)anilino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[3-methyl-4-(4-methylpiperazino)anilino]butyl]adamantane-1-carboxamide Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O2/c1-19-12-23(5-6-24(19)31-10-8-30(2)9-11-31)29-25(32)4-3-7-28-26(33)27-16-20-13-21(17-27)15-22(14-20)18-27/h5-6,12,20-22H,3-4,7-11,13-18H2,1-2H3,(H,28,33)(H,29,32)