N-[3-[[2-[(4-bromophenyl)methyl]pyrazol-3-yl]amino]-3-oxidanylidene-propyl]-3-methyl-benzamide

Systemtic Name: N-[3-[[2-[(4-bromophenyl)methyl]pyrazol-3-yl]amino]-3-oxidanylidene-propyl]-3-methyl-benzamide Openeye Name: N-[3-[[2-[(4-bromophenyl)methyl]pyrazol-3-yl]amino]-3-oxo-propyl]-3-methyl-benzamide CAS Name: N-[3-[[2-[(4-bromophenyl)methyl]-3-pyrazolyl]amino]-3-oxopropyl]-3-methylbenzamide IUPAC Name: N-[3-[[2-[(4-bromophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]-3-methylbenzamide Traditional Name: N-[3-[[2-(4-bromobenzyl)pyrazol-3-yl]amino]-3-keto-propyl]-3-methyl-benzamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCC(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCC(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O2/c1-15-3-2-4-17(13-15)21(28)23-11-10-20(27)25-19-9-12-24-26(19)14-16-5-7-18(22)8-6-16/h2-9,12-13H,10-11,14H2,1H3,(H,23,28)(H,25,27)