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

Systemtic Name: 6-[4-[4-[(3-chlorophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[4-[(3-chlorophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[4-[(3-chlorophenyl)methyl]-1-phthalazinyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[4-[(3-chlorophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[4-(3-chlorobenzyl)phthalazin-1-yl]piperazino]nicotinonitrile Formula: C25H21ClN6 MolecularWeight: 440.92744

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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(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN6/c26-20-5-3-4-18(14-20)15-23-21-6-1-2-7-22(21)25(30-29-23)32-12-10-31(11-13-32)24-9-8-19(16-27)17-28-24/h1-9,14,17H,10-13,15H2