N-[(2S)-butan-2-yl]-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-[(1S)-1-methylpropyl]-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-5-(1-methyl-2-pyrrolyl)-2-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-[(1S)-1-methylpropyl]-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CN3C

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CN3C

InChI

InChI=1S/C19H21N5O3/c1-4-13(2)20-19(25)18-12-16(17-9-6-10-22(17)3)21-23(18)14-7-5-8-15(11-14)24(26)27/h5-13H,4H2,1-3H3,(H,20,25)/t13-/m0/s1