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

Systemtic Name: 1-[(4-bromophenyl)amino]-3-methyl-2-prop-2-enyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-allyl-1-(4-bromoanilino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(4-bromoanilino)-3-methyl-2-prop-2-enyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-bromoanilino)-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-allyl-1-(4-bromoanilino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H17BrN4 MolecularWeight: 417.30118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)NC4=CC=C(C=C4)Br)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)NC4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C22H17BrN4/c1-3-6-17-14(2)18(13-24)22-26-19-7-4-5-8-20(19)27(22)21(17)25-16-11-9-15(23)10-12-16/h3-5,7-12,25H,1,6H2,2H3