N-[(E)-(2-bromanyl-5-prop-2-ynoxy-phenyl)methylideneamino]-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[(E)-(2-bromanyl-5-prop-2-ynoxy-phenyl)methylideneamino]-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide Openeye Name: N-[(E)-(2-bromo-5-prop-2-ynoxy-phenyl)methyleneamino]-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide CAS Name: N-[(E)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]-1-[(4-chlorophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(E)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide Traditional Name: N-[(E)-(2-bromo-5-propargyloxy-benzylidene)amino]-1-(4-chlorobenzyl)pyrazole-3-carboxamide Formula: C21H16BrClN4O2 MolecularWeight: 471.73434

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC(=C(C=C1)Br)C=NNC(=O)C2=NN(C=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C#CCOC1=CC(=C(C=C1)Br)/C=N/NC(=O)C2=NN(C=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H16BrClN4O2/c1-2-11-29-18-7-8-19(22)16(12-18)13-24-25-21(28)20-9-10-27(26-20)14-15-3-5-17(23)6-4-15/h1,3-10,12-13H,11,14H2,(H,25,28)/b24-13+