2-butyl-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 2-butyl-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-butyl-1-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-butyl-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-butyl-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-butyl-1-[4-(5-fluoro-2-methoxy-benzyl)piperazino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C29H32FN5O MolecularWeight: 485.595683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC5=C(C=CC(=C5)F)OC

Isomeric SMILES

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC5=C(C=CC(=C5)F)OC

InChI

InChI=1S/C29H32FN5O/c1-4-5-8-23-20(2)24(18-31)28-32-25-9-6-7-10-26(25)35(28)29(23)34-15-13-33(14-16-34)19-21-17-22(30)11-12-27(21)36-3/h6-7,9-12,17H,4-5,8,13-16,19H2,1-3H3