4-[[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-cyclopropyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-cyclopropylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-cyclopropylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-cyclopropyl-amino]methyl]-N-methyl-benzamide Formula: C21H24BrN3O2 MolecularWeight: 430.33816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(CC2=CC=C(C=C2)C(=O)NC)C3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(CC2=CC=C(C=C2)C(=O)NC)C3CC3

InChI

InChI=1S/C21H24BrN3O2/c1-14-11-17(22)7-10-19(14)24-20(26)13-25(18-8-9-18)12-15-3-5-16(6-4-15)21(27)23-2/h3-7,10-11,18H,8-9,12-13H2,1-2H3,(H,23,27)(H,24,26)