4-azanyl-5-(3-bromanyl-2-methyl-phenyl)carbonyl-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide

Systemtic Name: 4-azanyl-5-(3-bromanyl-2-methyl-phenyl)carbonyl-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide Openeye Name: 4-amino-5-(3-bromo-2-methyl-benzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide CAS Name: 4-amino-5-[(3-bromo-2-methylphenyl)-oxomethyl]-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide IUPAC Name: 4-amino-5-(3-bromo-2-methylbenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide Traditional Name: 4-amino-5-(3-bromo-2-methyl-benzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide Formula: C25H20BrN3O3 MolecularWeight: 490.3486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Br)C(=O)C2=C(C(=C(N2)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N)N

Isomeric SMILES

CC1=C(C=CC=C1Br)C(=O)C2=C(C(=C(N2)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N)N

InChI

InChI=1S/C25H20BrN3O3/c1-14-18(8-5-9-19(14)26)24(30)23-21(27)20(25(28)31)22(29-23)15-10-12-17(13-11-15)32-16-6-3-2-4-7-16/h2-13,29H,27H2,1H3,(H2,28,31)