2-butyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 2-butyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-butyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-butyl-1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-butyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-butyl-1-[4-(4-fluorophenyl)sulfonylpiperazino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H28FN5O2S MolecularWeight: 505.606923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H28FN5O2S/c1-3-4-7-22-19(2)23(18-29)26-30-24-8-5-6-9-25(24)33(26)27(22)31-14-16-32(17-15-31)36(34,35)21-12-10-20(28)11-13-21/h5-6,8-13H,3-4,7,14-17H2,1-2H3