3-[[1-(2-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-phenyl-quinazolin-4-one

Systemtic Name: 3-[[1-(2-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-phenyl-quinazolin-4-one Openeye Name: 3-[[1-(2-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-phenyl-quinazolin-4-one CAS Name: 3-[[1-(2-bromophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-phenyl-4-quinazolinone IUPAC Name: 3-[[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-phenylquinazolin-4-one Traditional Name: 3-[[1-(2-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-phenyl-quinazolin-4-one Formula: C27H21BrN4O MolecularWeight: 497.38584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2Br)C)C=NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2Br)C)C=NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C27H21BrN4O/c1-18-16-21(19(2)31(18)25-15-9-7-13-23(25)28)17-29-32-26(20-10-4-3-5-11-20)30-24-14-8-6-12-22(24)27(32)33/h3-17H,1-2H3