N-(1,3-benzodioxol-5-yl)-1-(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3-pentyl-phthalazine-1-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3-pentylphthalazine-1-carbonyl)piperidine-4-carboxamide Traditional Name: 1-(3-amyl-4-keto-phthalazine-1-carbonyl)-N-(1,3-benzodioxol-5-yl)isonipecotamide Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H30N4O5/c1-2-3-6-13-31-26(33)21-8-5-4-7-20(21)24(29-31)27(34)30-14-11-18(12-15-30)25(32)28-19-9-10-22-23(16-19)36-17-35-22/h4-5,7-10,16,18H,2-3,6,11-15,17H2,1H3,(H,28,32)