(3S)-1-(1-ethylpyrazol-4-yl)carbonyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(1-ethylpyrazol-4-yl)carbonyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1-ethylpyrazole-4-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(1-ethyl-4-pyrazolyl)-oxomethyl]-N-[3-(1H-indol-2-yl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-ethylpyrazole-4-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(1-ethylpyrazole-4-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]nipecotamide Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)N2CCCC(C2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C26H27N5O2/c1-2-31-17-21(15-27-31)26(33)30-12-6-9-20(16-30)25(32)28-22-10-5-8-18(13-22)24-14-19-7-3-4-11-23(19)29-24/h3-5,7-8,10-11,13-15,17,20,29H,2,6,9,12,16H2,1H3,(H,28,32)/t20-/m0/s1