3-[(E)-(2-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-2-(phenoxymethyl)quinazolin-4-one

Systemtic Name: 3-[(E)-(2-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-2-(phenoxymethyl)quinazolin-4-one Openeye Name: 3-[(E)-(2-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-2-(phenoxymethyl)quinazolin-4-one CAS Name: 3-[(E)-(2-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-(phenoxymethyl)-4-quinazolinone IUPAC Name: 3-[(E)-(2-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-(phenoxymethyl)quinazolin-4-one Traditional Name: 3-[(E)-(2-bromo-5-ethoxy-4-propargyloxy-benzylidene)amino]-2-(phenoxymethyl)quinazolin-4-one Formula: C27H22BrN3O4 MolecularWeight: 532.38528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=NN2C(=NC3=CC=CC=C3C2=O)COC4=CC=CC=C4)Br)OCC#C

Isomeric SMILES

CCOC1=C(C=C(C(=C1)/C=N/N2C(=NC3=CC=CC=C3C2=O)COC4=CC=CC=C4)Br)OCC#C

InChI

InChI=1S/C27H22BrN3O4/c1-3-14-34-25-16-22(28)19(15-24(25)33-4-2)17-29-31-26(18-35-20-10-6-5-7-11-20)30-23-13-9-8-12-21(23)27(31)32/h1,5-13,15-17H,4,14,18H2,2H3/b29-17+