4-[[[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-amino]methyl]benzamide

Systemtic Name: 4-[[[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-amino]methyl]benzamide Openeye Name: 4-[[[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethyl]-cyclopropyl-amino]methyl]benzamide CAS Name: 4-[[[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide IUPAC Name: 4-[[[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide Traditional Name: 4-[[[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethyl]-cyclopropyl-amino]methyl]benzamide Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=C(C=C2)C(=O)N)CC(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CC1N(CC2=CC=C(C=C2)C(=O)N)CC(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C21H22BrN3O4/c22-16-9-18-19(29-8-7-28-18)10-17(16)24-20(26)12-25(15-5-6-15)11-13-1-3-14(4-2-13)21(23)27/h1-4,9-10,15H,5-8,11-12H2,(H2,23,27)(H,24,26)