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

Systemtic Name: 3-[(E)-(3-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-2-(phenoxymethyl)quinazolin-4-one Openeye Name: 3-[(E)-(3-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-2-(phenoxymethyl)quinazolin-4-one CAS Name: 3-[(E)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-(phenoxymethyl)-4-quinazolinone IUPAC Name: 3-[(E)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-(phenoxymethyl)quinazolin-4-one Traditional Name: 3-[(E)-(3-ethoxy-4-propargyloxy-benzylidene)amino]-2-(phenoxymethyl)quinazolin-4-one Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O4/c1-3-16-33-24-15-14-20(17-25(24)32-4-2)18-28-30-26(19-34-21-10-6-5-7-11-21)29-23-13-9-8-12-22(23)27(30)31/h1,5-15,17-18H,4,16,19H2,2H3/b28-18+