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

Systemtic Name: 1-(hexadecylamino)-3-methyl-2-prop-2-enyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-allyl-1-(hexadecylamino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(hexadecylamino)-3-methyl-2-prop-2-enyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(hexadecylamino)-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-allyl-1-(cetylamino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C32H46N4 MolecularWeight: 486.73444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CC=C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CC=C

InChI

InChI=1S/C32H46N4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-24-34-31-27(21-5-2)26(3)28(25-33)32-35-29-22-18-19-23-30(29)36(31)32/h5,18-19,22-23,34H,2,4,6-17,20-21,24H2,1,3H3