4-bromanyl-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide Formula: C18H20BrN5O3 MolecularWeight: 434.2871

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C3=C(C=NN3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C3=C(C=NN3)Br)OCC

InChI

InChI=1S/C18H20BrN5O3/c1-3-26-15-6-5-12(7-16(15)27-4-2)10-24-11-13(8-21-24)22-18(25)17-14(19)9-20-23-17/h5-9,11H,3-4,10H2,1-2H3,(H,20,23)(H,22,25)