N-[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]oxane-2-carboxamide

Systemtic Name: N-[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]oxane-2-carboxamide Openeye Name: N-[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]tetrahydropyran-2-carboxamide CAS Name: N-[4-(4-benzoyl-1-piperazinyl)-3-chlorophenyl]-2-oxanecarboxamide IUPAC Name: N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]oxane-2-carboxamide Traditional Name: N-[4-(4-benzoylpiperazino)-3-chloro-phenyl]tetrahydropyran-2-carboxamide Formula: C23H26ClN3O3 MolecularWeight: 427.92384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCOC(C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H26ClN3O3/c24-19-16-18(25-22(28)21-8-4-5-15-30-21)9-10-20(19)26-11-13-27(14-12-26)23(29)17-6-2-1-3-7-17/h1-3,6-7,9-10,16,21H,4-5,8,11-15H2,(H,25,28)