4-[2,5-dimethyl-3-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)iminomethyl]pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[2,5-dimethyl-3-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)iminomethyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2,5-dimethyl-3-[(4-oxo-2-phenyl-quinazolin-3-yl)iminomethyl]pyrrol-1-yl]benzonitrile CAS Name: 4-[2,5-dimethyl-3-[(4-oxo-2-phenyl-3-quinazolinyl)iminomethyl]-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2,5-dimethyl-3-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]pyrrol-1-yl]benzonitrile Traditional Name: 4-[3-[(4-keto-2-phenyl-quinazolin-3-yl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]benzonitrile Formula: C28H21N5O MolecularWeight: 443.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C#N)C)C=NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C#N)C)C=NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C28H21N5O/c1-19-16-23(20(2)32(19)24-14-12-21(17-29)13-15-24)18-30-33-27(22-8-4-3-5-9-22)31-26-11-7-6-10-25(26)28(33)34/h3-16,18H,1-2H3