4-bromanyl-N-[(E)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[(E)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(E)-1,2-dihydroacenaphthylen-5-ylmethyleneamino]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(E)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(E)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-methylpyrazole-3-carboxamide Traditional Name: N-[(E)-acenaphthen-5-ylmethyleneamino]-4-bromo-1-methyl-pyrazole-3-carboxamide Formula: C18H15BrN4O MolecularWeight: 383.2419

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NN=CC2=C3C=CC=C4C3=C(CC4)C=C2)Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N/N=C/C2=C3C=CC=C4C3=C(CC4)C=C2)Br

InChI

InChI=1S/C18H15BrN4O/c1-23-10-15(19)17(22-23)18(24)21-20-9-13-8-7-12-6-5-11-3-2-4-14(13)16(11)12/h2-4,7-10H,5-6H2,1H3,(H,21,24)/b20-9+