N-[4-[[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[5-chloro-2-(4-methyl-1-piperazinyl)anilino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[5-chloro-2-(4-methylpiperazino)anilino]-4-keto-butyl]adamantane-1-carboxamide Formula: C26H37ClN4O2 MolecularWeight: 473.05058

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H37ClN4O2/c1-30-7-9-31(10-8-30)23-5-4-21(27)14-22(23)29-24(32)3-2-6-28-25(33)26-15-18-11-19(16-26)13-20(12-18)17-26/h4-5,14,18-20H,2-3,6-13,15-17H2,1H3,(H,28,33)(H,29,32)