N-(2-hydroxyethyl)-6-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-6-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carboxamide Openeye Name: 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(2-hydroxyethyl)pyridine-3-carboxamide CAS Name: N-(2-hydroxyethyl)-6-[4-[4-(phenylmethyl)-1-phthalazinyl]-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(2-hydroxyethyl)pyridine-3-carboxamide Traditional Name: 6-[4-(4-benzylphthalazin-1-yl)piperazino]-N-(2-hydroxyethyl)nicotinamide Formula: C27H28N6O2 MolecularWeight: 468.55022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N6O2/c34-17-12-28-27(35)21-10-11-25(29-19-21)32-13-15-33(16-14-32)26-23-9-5-4-8-22(23)24(30-31-26)18-20-6-2-1-3-7-20/h1-11,19,34H,12-18H2,(H,28,35)