N'-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-ethyl]ethanediamide

Systemtic Name: N'-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-ethyl]ethanediamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-N'-(p-tolyl)oxamide CAS Name: N'-(4-methylphenyl)-N-[2-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)ethyl]oxamide IUPAC Name: N'-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide Traditional Name: N-[2-(4-methylpiperazino)-2-(3-pyridyl)ethyl]-N'-(p-tolyl)oxamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)C

InChI

InChI=1S/C21H27N5O2/c1-16-5-7-18(8-6-16)24-21(28)20(27)23-15-19(17-4-3-9-22-14-17)26-12-10-25(2)11-13-26/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,27)(H,24,28)