N-[(2S)-1-[2-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(2S)-1-[2-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S)-1-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]-2-methyl-propyl]-3-methyl-benzamide CAS Name: N-[(2S)-1-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S)-1-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]-2-methyl-propyl]-3-methyl-benzamide Formula: C18H21BrN4O3 MolecularWeight: 421.28834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NNC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NNC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C18H21BrN4O3/c1-10(2)15(21-16(24)12-6-4-5-11(3)7-12)18(26)23-22-17(25)14-8-13(19)9-20-14/h4-10,15,20H,1-3H3,(H,21,24)(H,22,25)(H,23,26)/t15-/m0/s1