N-[(E)-anthracen-9-ylmethylideneamino]-4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[(E)-anthracen-9-ylmethylideneamino]-4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide Openeye Name: N-[(E)-9-anthrylmethyleneamino]-4-bromo-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide CAS Name: N-[(E)-9-anthracenylmethylideneamino]-4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(E)-anthracen-9-ylmethylideneamino]-4-bromo-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide Traditional Name: N-[(E)-9-anthrylmethyleneamino]-4-bromo-1-(4-chlorobenzyl)pyrazole-3-carboxamide Formula: C26H18BrClN4O MolecularWeight: 517.80432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=NNC(=O)C4=NN(C=C4Br)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/NC(=O)C4=NN(C=C4Br)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H18BrClN4O/c27-24-16-32(15-17-9-11-20(28)12-10-17)31-25(24)26(33)30-29-14-23-21-7-3-1-5-18(21)13-19-6-2-4-8-22(19)23/h1-14,16H,15H2,(H,30,33)/b29-14+