6-[4-[4-(naphthalen-2-ylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[4-(naphthalen-2-ylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[4-(2-naphthylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[4-(2-naphthalenylmethyl)-1-phthalazinyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[4-(naphthalen-2-ylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[4-(2-naphthylmethyl)phthalazin-1-yl]piperazino]nicotinonitrile Formula: C29H24N6 MolecularWeight: 456.54106

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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=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=NN=C(C4=CC=CC=C43)CC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C29H24N6/c30-19-22-10-12-28(31-20-22)34-13-15-35(16-14-34)29-26-8-4-3-7-25(26)27(32-33-29)18-21-9-11-23-5-1-2-6-24(23)17-21/h1-12,17,20H,13-16,18H2