4-[(4-methyl-1H-indol-5-yl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyridine-3-carbonitrile

Systemtic Name: 4-[(4-methyl-1H-indol-5-yl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyridine-3-carbonitrile Openeye Name: 4-[(4-methyl-1H-indol-5-yl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-thienyl]pyridine-3-carbonitrile CAS Name: 4-[(4-methyl-1H-indol-5-yl)amino]-5-[5-[(4-methyl-1-piperazinyl)methyl]-2-thiophenyl]-3-pyridinecarbonitrile IUPAC Name: 4-[(4-methyl-1H-indol-5-yl)amino]-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyridine-3-carbonitrile Traditional Name: 4-[(4-methyl-1H-indol-5-yl)amino]-5-[5-[(4-methylpiperazino)methyl]-2-thienyl]nicotinonitrile Formula: C25H26N6S MolecularWeight: 442.57914

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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(S4)CN5CCN(CC5)C

Isomeric SMILES

CC1=C(C=CC2=C1C=CN2)NC3=C(C=NC=C3C#N)C4=CC=C(S4)CN5CCN(CC5)C

InChI

InChI=1S/C25H26N6S/c1-17-20-7-8-28-23(20)5-4-22(17)29-25-18(13-26)14-27-15-21(25)24-6-3-19(32-24)16-31-11-9-30(2)10-12-31/h3-8,14-15,28H,9-12,16H2,1-2H3,(H,27,29)