1-(1,3-benzoxazol-2-yl)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-(4-chloro-2-methoxy-5-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-(4-chloro-2-methoxy-5-methyl-phenyl)isonipecotamide Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H22ClN3O3/c1-13-11-17(19(27-2)12-15(13)22)23-20(26)14-7-9-25(10-8-14)21-24-16-5-3-4-6-18(16)28-21/h3-6,11-12,14H,7-10H2,1-2H3,(H,23,26)