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

Systemtic Name: N-[4-[[2-(4-ethylpiperazin-1-yl)phenyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[2-(4-ethylpiperazin-1-yl)anilino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[2-(4-ethyl-1-piperazinyl)anilino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[2-(4-ethylpiperazin-1-yl)anilino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[2-(4-ethylpiperazino)anilino]-4-keto-butyl]adamantane-1-carboxamide Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H40N4O2/c1-2-30-10-12-31(13-11-30)24-7-4-3-6-23(24)29-25(32)8-5-9-28-26(33)27-17-20-14-21(18-27)16-22(15-20)19-27/h3-4,6-7,20-22H,2,5,8-19H2,1H3,(H,28,33)(H,29,32)