3-methyl-2-(3-methylbutyl)-1-[4-(4-methylpyridin-2-yl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-[4-(4-methylpyridin-2-yl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-isopentyl-3-methyl-1-[4-(4-methyl-2-pyridyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-2-(3-methylbutyl)-1-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-2-(3-methylbutyl)-1-[4-(4-methylpyridin-2-yl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-isoamyl-3-methyl-1-[4-(4-methyl-2-pyridyl)piperazino]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C28H32N6 MolecularWeight: 452.59388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2CCN(CC2)C3=C(C(=C(C4=NC5=CC=CC=C5N34)C#N)C)CCC(C)C

Isomeric SMILES

CC1=CC(=NC=C1)N2CCN(CC2)C3=C(C(=C(C4=NC5=CC=CC=C5N34)C#N)C)CCC(C)C

InChI

InChI=1S/C28H32N6/c1-19(2)9-10-22-21(4)23(18-29)27-31-24-7-5-6-8-25(24)34(27)28(22)33-15-13-32(14-16-33)26-17-20(3)11-12-30-26/h5-8,11-12,17,19H,9-10,13-16H2,1-4H3