2-methyl-4-[1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-[(1-methyl-2-benzimidazolyl)methyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazino]hexyl]benzonitrile Formula: C27H35N5 MolecularWeight: 429.6003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C27H35N5/c1-4-5-6-10-25(22-12-13-23(19-28)21(2)18-22)32-16-14-31(15-17-32)20-27-29-24-9-7-8-11-26(24)30(27)3/h7-9,11-13,18,25H,4-6,10,14-17,20H2,1-3H3