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

Systemtic Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-1-(4-p-phenetylsulfonylpiperazino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H25N5O3S MolecularWeight: 475.5627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C4=NC5=CC=CC=C5N34)C#N)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C4=NC5=CC=CC=C5N34)C#N)C

InChI

InChI=1S/C25H25N5O3S/c1-3-33-19-8-10-20(11-9-19)34(31,32)29-14-12-28(13-15-29)24-16-18(2)21(17-26)25-27-22-6-4-5-7-23(22)30(24)25/h4-11,16H,3,12-15H2,1-2H3