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

Systemtic Name: 4-(1H-indol-5-ylamino)-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyridine-3-carbonitrile Openeye Name: 4-(1H-indol-5-ylamino)-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyridine-3-carbonitrile CAS Name: 4-(1H-indol-5-ylamino)-5-[4-[2-(4-methyl-1-piperazinyl)ethoxy]phenyl]-3-pyridinecarbonitrile IUPAC Name: 4-(1H-indol-5-ylamino)-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyridine-3-carbonitrile Traditional Name: 4-(1H-indol-5-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=CC5=C(C=C4)NC=C5

Isomeric SMILES

CN1CCN(CC1)CCOC2=CC=C(C=C2)C3=C(C(=CN=C3)C#N)NC4=CC5=C(C=C4)NC=C5

InChI

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