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

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-isopentyl-3-methyl-1-[4-(2-pyridyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-2-(3-methylbutyl)-1-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-2-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-isoamyl-3-methyl-1-[4-(2-pyridyl)piperazino]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H30N6 MolecularWeight: 438.5673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(C)C)N4CCN(CC4)C5=CC=CC=N5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(C)C)N4CCN(CC4)C5=CC=CC=N5)C#N

InChI

InChI=1S/C27H30N6/c1-19(2)11-12-21-20(3)22(18-28)26-30-23-8-4-5-9-24(23)33(26)27(21)32-16-14-31(15-17-32)25-10-6-7-13-29-25/h4-10,13,19H,11-12,14-17H2,1-3H3