4-(1H-indol-4-ylamino)-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyridine-3-carbonitrile

Systemtic Name: 4-(1H-indol-4-ylamino)-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyridine-3-carbonitrile Openeye Name: 4-(1H-indol-4-ylamino)-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyridine-3-carbonitrile CAS Name: 4-(1H-indol-4-ylamino)-5-[4-[2-(4-methyl-1-piperazinyl)ethoxy]phenyl]-3-pyridinecarbonitrile IUPAC Name: 4-(1H-indol-4-ylamino)-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyridine-3-carbonitrile Traditional Name: 4-(1H-indol-4-ylamino)-5-[4-[2-(4-methylpiperazino)ethoxy]phenyl]nicotinonitrile Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCOC2=CC=C(C=C2)C3=C(C(=CN=C3)C#N)NC4=CC=CC5=C4C=CN5

Isomeric SMILES

CN1CCN(CC1)CCOC2=CC=C(C=C2)C3=C(C(=CN=C3)C#N)NC4=CC=CC5=C4C=CN5

InChI

InChI=1S/C27H28N6O/c1-32-11-13-33(14-12-32)15-16-34-22-7-5-20(6-8-22)24-19-29-18-21(17-28)27(24)31-26-4-2-3-25-23(26)9-10-30-25/h2-10,18-19,30H,11-16H2,1H3,(H,29,31)