3-[[2,5-dimethyl-1-(4-prop-2-ynoxyphenyl)pyrrol-3-yl]methylideneamino]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[[2,5-dimethyl-1-(4-prop-2-ynoxyphenyl)pyrrol-3-yl]methylideneamino]-1H-quinazoline-2,4-dione Openeye Name: 3-[[2,5-dimethyl-1-(4-prop-2-ynoxyphenyl)pyrrol-3-yl]methyleneamino]-1H-quinazoline-2,4-dione CAS Name: 3-[[2,5-dimethyl-1-(4-prop-2-ynoxyphenyl)-3-pyrrolyl]methylideneamino]-1H-quinazoline-2,4-dione IUPAC Name: 3-[[2,5-dimethyl-1-(4-prop-2-ynoxyphenyl)pyrrol-3-yl]methylideneamino]-1H-quinazoline-2,4-dione Traditional Name: 3-[[2,5-dimethyl-1-(4-propargyloxyphenyl)pyrrol-3-yl]methyleneamino]-1H-quinazoline-2,4-quinone Formula: C24H20N4O3 MolecularWeight: 412.4406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OCC#C)C)C=NN3C(=O)C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OCC#C)C)C=NN3C(=O)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C24H20N4O3/c1-4-13-31-20-11-9-19(10-12-20)27-16(2)14-18(17(27)3)15-25-28-23(29)21-7-5-6-8-22(21)26-24(28)30/h1,5-12,14-15H,13H2,2-3H3,(H,26,30)