1-[4-[(2-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[4-[(2-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-[(2-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-[(2-chlorophenyl)-phenylmethyl]-1-piperazinyl]-3-methyl-2-octyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-[(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-[(2-chlorophenyl)-phenyl-methyl]piperazino]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C38H42ClN5 MolecularWeight: 604.22658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6Cl

Isomeric SMILES

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6Cl

InChI

InChI=1S/C38H42ClN5/c1-3-4-5-6-7-11-18-30-28(2)32(27-40)37-41-34-21-14-15-22-35(34)44(37)38(30)43-25-23-42(24-26-43)36(29-16-9-8-10-17-29)31-19-12-13-20-33(31)39/h8-10,12-17,19-22,36H,3-7,11,18,23-26H2,1-2H3