6-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[4-(4-pyridylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[4-(pyridin-4-ylmethyl)-1-phthalazinyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[4-(4-pyridylmethyl)phthalazin-1-yl]piperazino]nicotinonitrile Formula: C24H21N7 MolecularWeight: 407.47044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=NN=C(C4=CC=CC=C43)CC5=CC=NC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=NN=C(C4=CC=CC=C43)CC5=CC=NC=C5

InChI

InChI=1S/C24H21N7/c25-16-19-5-6-23(27-17-19)30-11-13-31(14-12-30)24-21-4-2-1-3-20(21)22(28-29-24)15-18-7-9-26-10-8-18/h1-10,17H,11-15H2