2-(1-benzothiophen-3-yl)-5-[4-(phenylmethyl)piperazin-1-yl]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(1-benzothiophen-3-yl)-5-[4-(phenylmethyl)piperazin-1-yl]-2-propan-2-yl-pentanenitrile Openeye Name: 2-(benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)-2-isopropyl-pentanenitrile CAS Name: 2-(1-benzothiophen-3-yl)-5-[4-(phenylmethyl)-1-piperazinyl]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)-2-propan-2-ylpentanenitrile Traditional Name: 2-(benzothiophen-3-yl)-5-(4-benzylpiperazino)-2-isopropyl-valeronitrile Formula: C27H33N3S MolecularWeight: 431.63602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=CC=CC=C2)(C#N)C3=CSC4=CC=CC=C43

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=CC=CC=C2)(C#N)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C27H33N3S/c1-22(2)27(21-28,25-20-31-26-12-7-6-11-24(25)26)13-8-14-29-15-17-30(18-16-29)19-23-9-4-3-5-10-23/h3-7,9-12,20,22H,8,13-19H2,1-2H3