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

Systemtic Name: 1-[(4-butylphenyl)amino]-3-methyl-2-prop-2-enyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-allyl-1-(4-butylanilino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(4-butylanilino)-3-methyl-2-prop-2-enyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-butylanilino)-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-allyl-1-(4-butylanilino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C26H26N4 MolecularWeight: 394.51144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=C(C3=NC4=CC=CC=C4N23)C#N)C)CC=C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=C(C3=NC4=CC=CC=C4N23)C#N)C)CC=C

InChI

InChI=1S/C26H26N4/c1-4-6-10-19-13-15-20(16-14-19)28-25-21(9-5-2)18(3)22(17-27)26-29-23-11-7-8-12-24(23)30(25)26/h5,7-8,11-16,28H,2,4,6,9-10H2,1,3H3