N-[4-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[[(3,5-dimethoxyphenyl)-(1-methyl-2-imidazolyl)methyl]amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-4-keto-butyl]adamantane-1-carboxamide Formula: C28H38N4O4 MolecularWeight: 494.62572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O4/c1-32-8-7-29-26(32)25(21-12-22(35-2)14-23(13-21)36-3)31-24(33)5-4-6-30-27(34)28-15-18-9-19(16-28)11-20(10-18)17-28/h7-8,12-14,18-20,25H,4-6,9-11,15-17H2,1-3H3,(H,30,34)(H,31,33)