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

Systemtic Name: N-[3-[[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[4-(4-ethylpiperazin-1-yl)-2-methyl-anilino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[4-(4-ethyl-1-piperazinyl)-2-methylanilino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[4-(4-ethylpiperazino)-2-methyl-anilino]-3-keto-propyl]adamantane-1-carboxamide Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O2/c1-3-30-8-10-31(11-9-30)23-4-5-24(19(2)12-23)29-25(32)6-7-28-26(33)27-16-20-13-21(17-27)15-22(14-20)18-27/h4-5,12,20-22H,3,6-11,13-18H2,1-2H3,(H,28,33)(H,29,32)