N-(pyridin-2-ylmethyl)-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(pyridin-2-ylmethyl)-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-(2-pyridylmethyl)-1-(3-pyrrol-1-yl-2-pyridyl)piperidine-4-carboxamide CAS Name: N-(2-pyridinylmethyl)-1-[3-(1-pyrrolyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-(pyridin-2-ylmethyl)-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-(2-pyridylmethyl)-1-(3-pyrrol-1-yl-2-pyridyl)isonipecotamide Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=N2)C3=C(C=CC=N3)N4C=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=N2)C3=C(C=CC=N3)N4C=CC=C4

InChI

InChI=1S/C21H23N5O/c27-21(24-16-18-6-1-2-10-22-18)17-8-14-26(15-9-17)20-19(7-5-11-23-20)25-12-3-4-13-25/h1-7,10-13,17H,8-9,14-16H2,(H,24,27)