2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4-methyl-6-piperidin-1-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4-methyl-6-piperidin-1-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4-methyl-6-(1-piperidyl)pyridine-3-carbonitrile CAS Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-4-methyl-6-(1-piperidinyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4-methyl-6-piperidin-1-ylpyridine-3-carbonitrile Traditional Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethylthio]-4-methyl-6-piperidino-nicotinonitrile Formula: C27H32N6O2S MolecularWeight: 504.64698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCN2CCN(CC2)C3=C4C(=C(C=C3)C#N)OCCO4)N5CCCCC5

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCN2CCN(CC2)C3=C4C(=C(C=C3)C#N)OCCO4)N5CCCCC5

InChI

InChI=1S/C27H32N6O2S/c1-20-17-24(33-7-3-2-4-8-33)30-27(22(20)19-29)36-16-13-31-9-11-32(12-10-31)23-6-5-21(18-28)25-26(23)35-15-14-34-25/h5-6,17H,2-4,7-16H2,1H3