N-(1,3-benzodioxol-5-yl)-1-[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(3-isobutyl-4-oxo-phthalazine-1-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(3-isobutyl-4-keto-phthalazine-1-carbonyl)isonipecotamide Formula: C26H28N4O5 MolecularWeight: 476.52432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N4O5/c1-16(2)14-30-25(32)20-6-4-3-5-19(20)23(28-30)26(33)29-11-9-17(10-12-29)24(31)27-18-7-8-21-22(13-18)35-15-34-21/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,27,31)