N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=C(C)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C(/C)\C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O2/c1-3-12-28-18-10-6-16(7-11-18)19-13-20(25-24-19)21(27)26-23-14(2)15-4-8-17(22)9-5-15/h4-11,13H,3,12H2,1-2H3,(H,24,25)(H,26,27)/b23-14-