6-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylpiperidin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylpiperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-piperidyl]pyridine-3-carbonitrile CAS Name: 6-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(4-piperonylpiperazine-1-carbonyl)piperidino]nicotinonitrile Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=NC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=NC=C(C=C5)C#N

InChI

InChI=1S/C24H27N5O3/c25-14-19-2-4-23(26-15-19)28-7-5-20(6-8-28)24(30)29-11-9-27(10-12-29)16-18-1-3-21-22(13-18)32-17-31-21/h1-4,13,15,20H,5-12,16-17H2