N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide Traditional Name: 2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]-N-piperonyl-propionamide Formula: C21H24BrN3O4 MolecularWeight: 462.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24BrN3O4/c1-13-8-16(22)5-6-17(13)24-20(26)11-25(3)14(2)21(27)23-10-15-4-7-18-19(9-15)29-12-28-18/h4-9,14H,10-12H2,1-3H3,(H,23,27)(H,24,26)