N-[(2,5-dimethoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-6-(3-phenyl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-(2,5-dimethoxybenzyl)-6-(3-phenylpiperazino)nicotinamide Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC(=O)C2=CN=C(C=C2)N3CCNC(C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC(=O)C2=CN=C(C=C2)N3CCNC(C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3/c1-31-21-9-10-23(32-2)20(14-21)16-28-25(30)19-8-11-24(27-15-19)29-13-12-26-22(17-29)18-6-4-3-5-7-18/h3-11,14-15,22,26H,12-13,16-17H2,1-2H3,(H,28,30)