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

Systemtic Name: 3-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-phenyl-quinazolin-4-one Openeye Name: 3-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-phenyl-quinazolin-4-one CAS Name: 3-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-phenyl-4-quinazolinone IUPAC Name: 3-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-phenylquinazolin-4-one Traditional Name: 3-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-phenyl-quinazolin-4-one Formula: C28H22N4O3 MolecularWeight: 462.49928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=NN4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=NN4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6

InChI

InChI=1S/C28H22N4O3/c1-18-14-21(19(2)31(18)22-12-13-25-26(15-22)35-17-34-25)16-29-32-27(20-8-4-3-5-9-20)30-24-11-7-6-10-23(24)28(32)33/h3-16H,17H2,1-2H3