3-[3-[(phenylmethyl)amino]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-yl]benzenecarbonitrile

Systemtic Name: 3-[3-[(phenylmethyl)amino]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-yl]benzenecarbonitrile Openeye Name: 3-[3-(benzylamino)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-yl]benzonitrile CAS Name: 3-[3-[(phenylmethyl)amino]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4-pyrazolyl]benzonitrile IUPAC Name: 3-[3-(benzylamino)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-yl]benzonitrile Traditional Name: 3-[3-(benzylamino)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-yl]benzonitrile Formula: C24H18N6 MolecularWeight: 390.43992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN(C=C2C3=CC=CC(=C3)C#N)C4=C5C=CNC5=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN(C=C2C3=CC=CC(=C3)C#N)C4=C5C=CNC5=NC=C4

InChI

InChI=1S/C24H18N6/c25-14-18-7-4-8-19(13-18)21-16-30(22-10-12-27-23-20(22)9-11-26-23)29-24(21)28-15-17-5-2-1-3-6-17/h1-13,16H,15H2,(H,26,27)(H,28,29)