N-[4-[(3-chloranyl-4-methoxy-phenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(3-chloranyl-4-methoxy-phenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(3-chloro-4-methoxy-anilino)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(3-chloro-4-methoxyanilino)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(3-chloro-4-methoxyanilino)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-(3-chloro-4-methoxy-anilino)-4-keto-butyl]adamantane-1-carboxamide Formula: C22H29ClN2O3 MolecularWeight: 404.93026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C22H29ClN2O3/c1-28-19-5-4-17(10-18(19)23)25-20(26)3-2-6-24-21(27)22-11-14-7-15(12-22)9-16(8-14)13-22/h4-5,10,14-16H,2-3,6-9,11-13H2,1H3,(H,24,27)(H,25,26)