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

Systemtic Name: N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-3-(4-methoxyphenyl)adamantane-1-carboxamide Openeye Name: N-[2-(2-bromoanilino)-2-oxo-ethyl]-3-(4-methoxyphenyl)adamantane-1-carboxamide CAS Name: N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-1-adamantanecarboxamide IUPAC Name: N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)adamantane-1-carboxamide Traditional Name: N-[2-(2-bromoanilino)-2-keto-ethyl]-3-(4-methoxyphenyl)adamantane-1-carboxamide Formula: C26H29BrN2O3 MolecularWeight: 497.42406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCC(=O)NC5=CC=CC=C5Br

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCC(=O)NC5=CC=CC=C5Br

InChI

InChI=1S/C26H29BrN2O3/c1-32-20-8-6-19(7-9-20)25-11-17-10-18(12-25)14-26(13-17,16-25)24(31)28-15-23(30)29-22-5-3-2-4-21(22)27/h2-9,17-18H,10-16H2,1H3,(H,28,31)(H,29,30)