N-[2-(azepan-1-yl)ethyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-(3-pyrrol-1-yl-2-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-[3-(1-pyrrolyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-(3-pyrrol-1-yl-2-pyridyl)isonipecotamide Formula: C23H33N5O MolecularWeight: 395.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)C3=C(C=CC=N3)N4C=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)C3=C(C=CC=N3)N4C=CC=C4

InChI

InChI=1S/C23H33N5O/c29-23(25-12-19-26-13-3-1-2-4-14-26)20-9-17-28(18-10-20)22-21(8-7-11-24-22)27-15-5-6-16-27/h5-8,11,15-16,20H,1-4,9-10,12-14,17-19H2,(H,25,29)