6-dibenzothiophen-4-yl-N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide

Systemtic Name: 6-dibenzothiophen-4-yl-N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide Openeye Name: 6-dibenzothiophen-4-yl-N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide CAS Name: 6-(4-dibenzothiophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-hydroxyethyl)-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: 6-dibenzothiophen-4-yl-N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxamide Traditional Name: 6-dibenzothiophen-4-yl-2-[4-(2-hydroxyethyl)piperazino]-N-veratryl-nicotinamide Formula: C33H34N4O4S MolecularWeight: 582.71246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(N=C(C=C2)C3=CC=CC4=C3SC5=CC=CC=C45)N6CCN(CC6)CCO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(N=C(C=C2)C3=CC=CC4=C3SC5=CC=CC=C45)N6CCN(CC6)CCO)OC

InChI

InChI=1S/C33H34N4O4S/c1-40-28-13-10-22(20-29(28)41-2)21-34-33(39)26-11-12-27(35-32(26)37-16-14-36(15-17-37)18-19-38)25-8-5-7-24-23-6-3-4-9-30(23)42-31(24)25/h3-13,20,38H,14-19,21H2,1-2H3,(H,34,39)