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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2/c1-17(18-7-3-2-4-8-18)26-23(28)19-11-13-27(14-12-19)24(29)22-15-20-9-5-6-10-21(20)16-25-22/h2-10,17,19,22,25H,11-16H2,1H3,(H,26,28)/t17?,22-/m0/s1