2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]pentanenitrile CAS Name: 2-(2-methoxyphenyl)-5-[4-(1-methyl-2-benzimidazolyl)-1-piperazinyl]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazino]valeronitrile Formula: C27H35N5O MolecularWeight: 445.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)C2=NC3=CC=CC=C3N2C)(C#N)C4=CC=CC=C4OC

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)C2=NC3=CC=CC=C3N2C)(C#N)C4=CC=CC=C4OC

InChI

InChI=1S/C27H35N5O/c1-21(2)27(20-28,22-10-5-8-13-25(22)33-4)14-9-15-31-16-18-32(19-17-31)26-29-23-11-6-7-12-24(23)30(26)3/h5-8,10-13,21H,9,14-19H2,1-4H3