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

Systemtic Name: 5-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-2-phenyl-pentanenitrile CAS Name: 5-[4-[(1-methyl-2-benzimidazolyl)methyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazino]-2-phenyl-valeronitrile Formula: C27H35N5 MolecularWeight: 429.6003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=NC3=CC=CC=C3N2C)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=NC3=CC=CC=C3N2C)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H35N5/c1-22(2)27(21-28,23-10-5-4-6-11-23)14-9-15-31-16-18-32(19-17-31)20-26-29-24-12-7-8-13-25(24)30(26)3/h4-8,10-13,22H,9,14-20H2,1-3H3