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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl-prop-2-enyl-amino]-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[allyl-[(3,4-dimethoxyphenyl)methyl]amino]-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[(3,4-dimethoxyphenyl)methyl-prop-2-enylamino]-2-ethyl-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl-prop-2-enylamino]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[allyl(veratryl)amino]-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N(CC=C)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N(CC=C)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H28N4O2/c1-6-14-30(17-19-12-13-24(32-4)25(15-19)33-5)27-20(7-2)18(3)21(16-28)26-29-22-10-8-9-11-23(22)31(26)27/h6,8-13,15H,1,7,14,17H2,2-5H3