N5-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

Systemtic Name: N5-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: N5-[1-(3-bromo-4-methoxy-phenyl)ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: N5-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 5-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-1-phenyl-2-pyrazoline-3,5-dicarboxamide Formula: C20H21BrN4O3 MolecularWeight: 445.30974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)Br)NC(=O)C2=NN(C(C2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)Br)NC(=O)C2=NN(C(C2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrN4O3/c1-12(13-8-9-18(28-2)15(21)10-13)23-20(27)16-11-17(19(22)26)25(24-16)14-6-4-3-5-7-14/h3-10,12,17H,11H2,1-2H3,(H2,22,26)(H,23,27)