N-(3-azanyl-1H-isoindol-2-ium-2-yl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-3-p-phenetyl-1H-pyrazole-5-carboxamide Formula: C20H20N5O2+ MolecularWeight: 362.4051

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N[N+]3=C(C4=CC=CC=C4C3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N[N+]3=C(C4=CC=CC=C4C3)N

InChI

InChI=1S/C20H19N5O2/c1-2-27-15-9-7-13(8-10-15)17-11-18(23-22-17)20(26)24-25-12-14-5-3-4-6-16(14)19(25)21/h3-11,21H,2,12H2,1H3,(H2,22,23,24,26)/p+1