1-(1-adamantylamino)-2-(2-chloroethyl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-(1-adamantylamino)-2-(2-chloroethyl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(1-adamantylamino)-2-(2-chloroethyl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(1-adamantylamino)-2-(2-chloroethyl)-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(1-adamantylamino)-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(1-adamantylamino)-2-(2-chloroethyl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H27ClN4 MolecularWeight: 418.96168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)NC45CC6CC(C4)CC(C6)C5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)NC45CC6CC(C4)CC(C6)C5)C#N

InChI

InChI=1S/C25H27ClN4/c1-15-19(6-7-26)24(29-25-11-16-8-17(12-25)10-18(9-16)13-25)30-22-5-3-2-4-21(22)28-23(30)20(15)14-27/h2-5,16-18,29H,6-13H2,1H3