N-[1-(phenylmethyl)piperidin-4-yl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-4-yl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-1-(3-pyrrol-1-yl-2-pyridyl)piperidine-4-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidinyl]-1-[3-(1-pyrrolyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-1-(3-pyrrol-1-yl-2-pyridyl)isonipecotamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)C4=C(C=CC=N4)N5C=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)C4=C(C=CC=N4)N5C=CC=C5

InChI

InChI=1S/C27H33N5O/c33-27(29-24-12-17-30(18-13-24)21-22-7-2-1-3-8-22)23-10-19-32(20-11-23)26-25(9-6-14-28-26)31-15-4-5-16-31/h1-9,14-16,23-24H,10-13,17-21H2,(H,29,33)