N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-(3-methyl-4-pyrrolidino-phenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C21H21N5O3/c1-15-13-16(7-8-20(15)24-10-2-3-11-24)22-21(27)19-9-12-25(23-19)17-5-4-6-18(14-17)26(28)29/h4-9,12-14H,2-3,10-11H2,1H3,(H,22,27)