2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide

Systemtic Name: 2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-[1-oxo-4-(4-pyridylmethyl)phthalazin-2-yl]acetamide CAS Name: 2-[1-oxo-4-(pyridin-4-ylmethyl)-2-phthalazinyl]-N-[1-(phenylmethyl)-4-piperidinyl]acetamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-[1-keto-4-(4-pyridylmethyl)phthalazin-2-yl]acetamide Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2/c34-27(30-23-12-16-32(17-13-23)19-22-6-2-1-3-7-22)20-33-28(35)25-9-5-4-8-24(25)26(31-33)18-21-10-14-29-15-11-21/h1-11,14-15,23H,12-13,16-20H2,(H,30,34)