1-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-methyl-2-prop-2-enyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-methyl-2-prop-2-enyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-allyl-1-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-[(2,4-dimethylphenyl)methyl]-1-piperazinyl]-3-methyl-2-prop-2-enyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-allyl-1-[4-(2,4-dimethylbenzyl)piperazino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C29H31N5 MolecularWeight: 449.58994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2CCN(CC2)C3=C(C(=C(C4=NC5=CC=CC=C5N34)C#N)C)CC=C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2CCN(CC2)C3=C(C(=C(C4=NC5=CC=CC=C5N34)C#N)C)CC=C)C

InChI

InChI=1S/C29H31N5/c1-5-8-24-22(4)25(18-30)28-31-26-9-6-7-10-27(26)34(28)29(24)33-15-13-32(14-16-33)19-23-12-11-20(2)17-21(23)3/h5-7,9-12,17H,1,8,13-16,19H2,2-4H3