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

Systemtic Name: N-[4-[[5-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[5-chloro-2-(4-ethylpiperazin-1-yl)anilino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[5-chloro-2-(4-ethyl-1-piperazinyl)anilino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[5-chloro-2-(4-ethylpiperazin-1-yl)anilino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[5-chloro-2-(4-ethylpiperazino)anilino]-4-keto-butyl]adamantane-1-carboxamide Formula: C27H39ClN4O2 MolecularWeight: 487.07716

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H39ClN4O2/c1-2-31-8-10-32(11-9-31)24-6-5-22(28)15-23(24)30-25(33)4-3-7-29-26(34)27-16-19-12-20(17-27)14-21(13-19)18-27/h5-6,15,19-21H,2-4,7-14,16-18H2,1H3,(H,29,34)(H,30,33)