(3R,4S)-N-cyclopropyl-N-(isoquinolin-5-ylmethyl)-4-(1-methyl-2-oxidanylidene-pyridin-4-yl)piperidine-3-carboxamide

Systemtic Name: (3R,4S)-N-cyclopropyl-N-(isoquinolin-5-ylmethyl)-4-(1-methyl-2-oxidanylidene-pyridin-4-yl)piperidine-3-carboxamide Openeye Name: (3R,4S)-N-cyclopropyl-N-(5-isoquinolylmethyl)-4-(1-methyl-2-oxo-4-pyridyl)piperidine-3-carboxamide CAS Name: (3R,4S)-N-cyclopropyl-N-(5-isoquinolinylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)-3-piperidinecarboxamide IUPAC Name: (3R,4S)-N-cyclopropyl-N-(isoquinolin-5-ylmethyl)-4-(1-methyl-2-oxopyridin-4-yl)piperidine-3-carboxamide Traditional Name: (3R,4S)-N-cyclopropyl-N-(5-isoquinolylmethyl)-4-(2-keto-1-methyl-4-pyridyl)nipecotamide Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)C2CCNCC2C(=O)N(CC3=CC=CC4=C3C=CN=C4)C5CC5

Isomeric SMILES

CN1C=CC(=CC1=O)[C@H]2CCNC[C@@H]2C(=O)N(CC3=CC=CC4=C3C=CN=C4)C5CC5

InChI

InChI=1S/C25H28N4O2/c1-28-12-9-17(13-24(28)30)22-8-11-27-15-23(22)25(31)29(20-5-6-20)16-19-4-2-3-18-14-26-10-7-21(18)19/h2-4,7,9-10,12-14,20,22-23,27H,5-6,8,11,15-16H2,1H3/t22-,23+/m1/s1