6-[4-[4-[(4-cyanophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[4-[(4-cyanophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[4-[(4-cyanophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[4-[(4-cyanophenyl)methyl]-1-phthalazinyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[4-[(4-cyanophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[4-(4-cyanobenzyl)phthalazin-1-yl]piperazino]nicotinonitrile Formula: C26H21N7 MolecularWeight: 431.49184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N7/c27-16-20-7-5-19(6-8-20)15-24-22-3-1-2-4-23(22)26(31-30-24)33-13-11-32(12-14-33)25-10-9-21(17-28)18-29-25/h1-10,18H,11-15H2