N-[2-(4-methylphenyl)ethyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)ethyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: 6-(3-phenylpiperazin-1-yl)-N-[2-(p-tolyl)ethyl]pyridine-3-carboxamide CAS Name: N-[2-(4-methylphenyl)ethyl]-6-(3-phenyl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)ethyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: 6-(3-phenylpiperazino)-N-[2-(p-tolyl)ethyl]nicotinamide Formula: C25H28N4O MolecularWeight: 400.51602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)C2=CN=C(C=C2)N3CCNC(C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C2=CN=C(C=C2)N3CCNC(C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O/c1-19-7-9-20(10-8-19)13-14-27-25(30)22-11-12-24(28-17-22)29-16-15-26-23(18-29)21-5-3-2-4-6-21/h2-12,17,23,26H,13-16,18H2,1H3,(H,27,30)