N'-(1,3-benzodioxol-5-yl)-N'-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-N-pyridin-2-yl-butanediamide

Systemtic Name: N'-(1,3-benzodioxol-5-yl)-N'-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-N-pyridin-2-yl-butanediamide Openeye Name: N'-(1,3-benzodioxol-5-yl)-N'-[2-(isopentylamino)-2-oxo-ethyl]-N-(2-pyridyl)butanediamide CAS Name: N'-(1,3-benzodioxol-5-yl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-(2-pyridinyl)butanediamide IUPAC Name: N'-(1,3-benzodioxol-5-yl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide Traditional Name: N'-(1,3-benzodioxol-5-yl)-N'-[2-(isoamylamino)-2-keto-ethyl]-N-(2-pyridyl)succinamide Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CN(C1=CC2=C(C=C1)OCO2)C(=O)CCC(=O)NC3=CC=CC=N3

Isomeric SMILES

CC(C)CCNC(=O)CN(C1=CC2=C(C=C1)OCO2)C(=O)CCC(=O)NC3=CC=CC=N3

InChI

InChI=1S/C23H28N4O5/c1-16(2)10-12-25-22(29)14-27(17-6-7-18-19(13-17)32-15-31-18)23(30)9-8-21(28)26-20-5-3-4-11-24-20/h3-7,11,13,16H,8-10,12,14-15H2,1-2H3,(H,25,29)(H,24,26,28)