2-[4-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]piperazin-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-1-piperazinyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[2-(2-bromo-4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]piperazino]-N-cyclopropyl-acetamide Formula: C18H25BrN4O2 MolecularWeight: 409.3207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3CC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3CC3)Br

InChI

InChI=1S/C18H25BrN4O2/c1-13-2-5-16(15(19)10-13)21-18(25)12-23-8-6-22(7-9-23)11-17(24)20-14-3-4-14/h2,5,10,14H,3-4,6-9,11-12H2,1H3,(H,20,24)(H,21,25)