4-(1H-indol-5-ylamino)-2-[3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 4-(1H-indol-5-ylamino)-2-[3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 4-(1H-indol-5-ylamino)-2-[3-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]phenyl]thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 4-(1H-indol-5-ylamino)-2-[3-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]phenyl]-5-thieno[2,3-b]pyridinecarbonitrile IUPAC Name: 4-(1H-indol-5-ylamino)-2-[3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]thieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 4-(1H-indol-5-ylamino)-2-[3-[[4-(4-pyridylmethyl)piperazino]methyl]phenyl]thieno[2,3-b]pyridine-5-carbonitrile Formula: C33H29N7S MolecularWeight: 555.69526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)CC3=CC=CC(=C3)C4=CC5=C(C(=CN=C5S4)C#N)NC6=CC7=C(C=C6)NC=C7

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)CC3=CC=CC(=C3)C4=CC5=C(C(=CN=C5S4)C#N)NC6=CC7=C(C=C6)NC=C7

InChI

InChI=1S/C33H29N7S/c34-19-27-20-37-33-29(32(27)38-28-4-5-30-25(17-28)8-11-36-30)18-31(41-33)26-3-1-2-24(16-26)22-40-14-12-39(13-15-40)21-23-6-9-35-10-7-23/h1-11,16-18,20,36H,12-15,21-22H2,(H,37,38)