(3S)-N-(2-pyridin-3-yloxyphenyl)-1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-pyridin-3-yloxyphenyl)-1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(3-pyridyloxy)phenyl]-1-[(E)-3-(2-pyridyl)prop-2-enoyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(E)-1-oxo-3-(2-pyridinyl)prop-2-enyl]-N-[2-(3-pyridinyloxy)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2-pyridin-3-yloxyphenyl)-1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[(E)-3-(2-pyridyl)acryloyl]-N-[2-(3-pyridyloxy)phenyl]nipecotamide Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=CC=N2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)/C=C/C2=CC=CC=N2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C25H24N4O3/c30-24(13-12-20-8-3-4-15-27-20)29-16-6-7-19(18-29)25(31)28-22-10-1-2-11-23(22)32-21-9-5-14-26-17-21/h1-5,8-15,17,19H,6-7,16,18H2,(H,28,31)/b13-12+/t19-/m0/s1