N-(4-ethylphenyl)-1-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: N-(4-ethylphenyl)-1-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl]piperidine-4-carboxamide Openeye Name: N-(4-ethylphenyl)-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide CAS Name: N-(4-ethylphenyl)-1-[oxo-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(4-ethylphenyl)-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide Traditional Name: N-(4-ethylphenyl)-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]isonipecotamide Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)[C@H]3CC4=CC=CC=C4CN3

InChI

InChI=1S/C24H29N3O2/c1-2-17-7-9-21(10-8-17)26-23(28)18-11-13-27(14-12-18)24(29)22-15-19-5-3-4-6-20(19)16-25-22/h3-10,18,22,25H,2,11-16H2,1H3,(H,26,28)/t22-/m1/s1