N-[5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-yl]biphenylene-2-carboxamide dihydrochloride

Systemtic Name: N-[5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-yl]biphenylene-2-carboxamide dihydrochloride Openeye Name: N-[1-methyl-4-[4-(o-tolyl)piperazin-1-yl]butyl]biphenylene-2-carboxamide dihydrochloride CAS Name: N-[5-[4-(2-methylphenyl)-1-piperazinyl]pentan-2-yl]-2-biphenylenecarboxamide dihydrochloride IUPAC Name: N-[5-[4-(2-methylphenyl)piperazin-1-yl]pentan-2-yl]biphenylene-2-carboxamide dihydrochloride Traditional Name: N-[1-methyl-4-[4-(o-tolyl)piperazino]butyl]biphenylene-2-carboxamide dihydrochloride Formula: C29H35Cl2N3O MolecularWeight: 512.5137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCCC(C)NC(=O)C3=CC4=C(C=C3)C5=CC=CC=C54.Cl.Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCCC(C)NC(=O)C3=CC4=C(C=C3)C5=CC=CC=C54.Cl.Cl

InChI

InChI=1S/C29H33N3O.2ClH/c1-21-8-3-6-12-28(21)32-18-16-31(17-19-32)15-7-9-22(2)30-29(33)23-13-14-26-24-10-4-5-11-25(24)27(26)20-23;;/h3-6,8,10-14,20,22H,7,9,15-19H2,1-2H3,(H,30,33);2*1H