N-[3-[(4-acetamido-3-chloranyl-phenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[(4-acetamido-3-chloranyl-phenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-(4-acetamido-3-chloro-anilino)-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-(4-acetamido-3-chloroanilino)-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(4-acetamido-3-chloroanilino)-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-(4-acetamido-3-chloro-anilino)-3-keto-propyl]adamantane-1-carboxamide Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C22H28ClN3O3/c1-13(27)25-19-3-2-17(9-18(19)23)26-20(28)4-5-24-21(29)22-10-14-6-15(11-22)8-16(7-14)12-22/h2-3,9,14-16H,4-8,10-12H2,1H3,(H,24,29)(H,25,27)(H,26,28)