6-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 6-[4-[4-(phenylmethyl)-1-phthalazinyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 6-[4-(4-benzylphthalazin-1-yl)piperazino]nicotinic acid Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O2/c31-25(32)19-10-11-23(26-17-19)29-12-14-30(15-13-29)24-21-9-5-4-8-20(21)22(27-28-24)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H,31,32)