1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(4-cyclohexyl-1-piperazin-4-iumyl)-3-phenyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(4-cyclohexylpiperazin-4-ium-1-yl)-3-phenyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C28H30N5+ MolecularWeight: 436.5713

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C3=CC(=C(C4=NC5=CC=CC=C5N34)C#N)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C3=CC(=C(C4=NC5=CC=CC=C5N34)C#N)C6=CC=CC=C6

InChI

InChI=1S/C28H29N5/c29-20-24-23(21-9-3-1-4-10-21)19-27(33-26-14-8-7-13-25(26)30-28(24)33)32-17-15-31(16-18-32)22-11-5-2-6-12-22/h1,3-4,7-10,13-14,19,22H,2,5-6,11-12,15-18H2/p+1