N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide

Systemtic Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide Openeye Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide CAS Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(4-methyl-1-piperazinyl)-4-pyrimidinyl]benzamide IUPAC Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide Traditional Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-(4-methylpiperazino)pyrimidin-4-yl]benzamide Formula: C27H27N7O MolecularWeight: 465.54958

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCCC4=CC5=C(C=C4)NC=C5C#N

Isomeric SMILES

CN1CCN(CC1)C2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCCC4=CC5=C(C=C4)NC=C5C#N

InChI

InChI=1S/C27H27N7O/c1-33-12-14-34(15-13-33)27-30-11-9-24(32-27)20-3-5-21(6-4-20)26(35)29-10-8-19-2-7-25-23(16-19)22(17-28)18-31-25/h2-7,9,11,16,18,31H,8,10,12-15H2,1H3,(H,29,35)