1-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(3-benzyl-4-oxo-phthalazine-1-carbonyl)-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(3-benzyl-4-keto-phthalazine-1-carbonyl)-N-(3-pyridylmethyl)isonipecotamide Formula: C28H27N5O3 MolecularWeight: 481.54568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O3/c34-26(30-18-21-9-6-14-29-17-21)22-12-15-32(16-13-22)28(36)25-23-10-4-5-11-24(23)27(35)33(31-25)19-20-7-2-1-3-8-20/h1-11,14,17,22H,12-13,15-16,18-19H2,(H,30,34)