N-[4-[[4-(1-methylimidazol-2-yl)carbonylphenyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[[4-(1-methylimidazol-2-yl)carbonylphenyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-(1-methylimidazole-2-carbonyl)anilino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[4-[(1-methyl-2-imidazolyl)-oxomethyl]anilino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-(1-methylimidazole-2-carbonyl)anilino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[4-(1-methylimidazole-2-carbonyl)anilino]butyl]adamantane-1-carboxamide Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H32N4O3/c1-30-10-9-27-24(30)23(32)20-4-6-21(7-5-20)29-22(31)3-2-8-28-25(33)26-14-17-11-18(15-26)13-19(12-17)16-26/h4-7,9-10,17-19H,2-3,8,11-16H2,1H3,(H,28,33)(H,29,31)