3-[[4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-[(5-chloro-2-thienyl)methyl]piperazino]piperidino]methyl]benzonitrile Formula: C22H27ClN4S MolecularWeight: 414.99458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)CC3=CC=C(S3)Cl)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)CC3=CC=C(S3)Cl)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H27ClN4S/c23-22-5-4-21(28-22)17-26-10-12-27(13-11-26)20-6-8-25(9-7-20)16-19-3-1-2-18(14-19)15-24/h1-5,14,20H,6-13,16-17H2