1-[(3,4-dimethoxyphenyl)methyl-prop-2-enyl-amino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl-prop-2-enyl-amino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[allyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[(3,4-dimethoxyphenyl)methyl-prop-2-enylamino]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl-prop-2-enylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[allyl(veratryl)amino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N(CC=C)CC4=CC(=C(C=C4)OC)OC)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N(CC=C)CC4=CC(=C(C=C4)OC)OC)C#N

InChI

InChI=1S/C25H24N4O2/c1-5-12-28(16-18-10-11-22(30-3)23(14-18)31-4)24-13-17(2)19(15-26)25-27-20-8-6-7-9-21(20)29(24)25/h5-11,13-14H,1,12,16H2,2-4H3