4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carbonitrile

Systemtic Name: 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carbonitrile Openeye Name: 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carbonitrile CAS Name: 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-3-pyridinecarbonitrile IUPAC Name: 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carbonitrile Traditional Name: 4-[(4-methyl-1H-indol-5-yl)amino]-5-[4-[(4-methylpiperazino)methyl]phenyl]nicotinonitrile Formula: C27H28N6 MolecularWeight: 436.55142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=CN2)NC3=C(C=NC=C3C#N)C4=CC=C(C=C4)CN5CCN(CC5)C

Isomeric SMILES

CC1=C(C=CC2=C1C=CN2)NC3=C(C=NC=C3C#N)C4=CC=C(C=C4)CN5CCN(CC5)C

InChI

InChI=1S/C27H28N6/c1-19-23-9-10-30-26(23)8-7-25(19)31-27-22(15-28)16-29-17-24(27)21-5-3-20(4-6-21)18-33-13-11-32(2)12-14-33/h3-10,16-17,30H,11-14,18H2,1-2H3,(H,29,31)