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

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-[4-(phenylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-isopentyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-2-(3-methylbutyl)-1-[4-(phenylmethyl)-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(4-benzylpiperazino)-2-isoamyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C29H33N5 MolecularWeight: 451.60582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(C)C)N4CCN(CC4)CC5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(C)C)N4CCN(CC4)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C29H33N5/c1-21(2)13-14-24-22(3)25(19-30)28-31-26-11-7-8-12-27(26)34(28)29(24)33-17-15-32(16-18-33)20-23-9-5-4-6-10-23/h4-12,21H,13-18,20H2,1-3H3