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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(3-butyl-4-oxo-phthalazine-1-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3-butyl-4-oxophthalazine-1-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(3-butyl-4-keto-phthalazine-1-carbonyl)isonipecotamide Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N4O5/c1-2-3-12-30-25(32)20-7-5-4-6-19(20)23(28-30)26(33)29-13-10-17(11-14-29)24(31)27-18-8-9-21-22(15-18)35-16-34-21/h4-9,15,17H,2-3,10-14,16H2,1H3,(H,27,31)