N-[3-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-(4-chloro-2,5-dimethoxy-anilino)-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-(4-chloro-2,5-dimethoxy-anilino)-3-keto-propyl]adamantane-1-carboxamide Formula: C22H29ClN2O4 MolecularWeight: 420.92966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)OC)Cl

InChI

InChI=1S/C22H29ClN2O4/c1-28-18-9-17(19(29-2)8-16(18)23)25-20(26)3-4-24-21(27)22-10-13-5-14(11-22)7-15(6-13)12-22/h8-9,13-15H,3-7,10-12H2,1-2H3,(H,24,27)(H,25,26)