N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-(4-methoxyphenyl)adamantane-1-carboxamide

Systemtic Name: N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-(4-methoxyphenyl)adamantane-1-carboxamide Openeye Name: N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-3-(4-methoxyphenyl)adamantane-1-carboxamide CAS Name: N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-1-adamantanecarboxamide IUPAC Name: N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)adamantane-1-carboxamide Traditional Name: N-[2-(2,3-dimethylanilino)-2-keto-ethyl]-3-(4-methoxyphenyl)adamantane-1-carboxamide Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C28H34N2O3/c1-18-5-4-6-24(19(18)2)30-25(31)16-29-26(32)28-14-20-11-21(15-28)13-27(12-20,17-28)22-7-9-23(33-3)10-8-22/h4-10,20-21H,11-17H2,1-3H3,(H,29,32)(H,30,31)