N-(3,4-dimethylphenyl)-1-[1-(2-phenoxyethanoyl)piperidin-4-yl]piperidine-4-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-1-[1-(2-phenoxyethanoyl)piperidin-4-yl]piperidine-4-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-1-[1-(2-phenoxyacetyl)-4-piperidyl]piperidine-4-carboxamide CAS Name: N-(3,4-dimethylphenyl)-1-[1-(1-oxo-2-phenoxyethyl)-4-piperidinyl]-4-piperidinecarboxamide IUPAC Name: N-(3,4-dimethylphenyl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-1-[1-(2-phenoxyacetyl)-4-piperidyl]isonipecotamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3CCN(CC3)C(=O)COC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3CCN(CC3)C(=O)COC4=CC=CC=C4)C

InChI

InChI=1S/C27H35N3O3/c1-20-8-9-23(18-21(20)2)28-27(32)22-10-14-29(15-11-22)24-12-16-30(17-13-24)26(31)19-33-25-6-4-3-5-7-25/h3-9,18,22,24H,10-17,19H2,1-2H3,(H,28,32)