3-[[3-(4-bromophenyl)pyrazol-4-ylidene]methylamino]-2-(phenoxymethyl)quinazolin-4-one

Systemtic Name: 3-[[3-(4-bromophenyl)pyrazol-4-ylidene]methylamino]-2-(phenoxymethyl)quinazolin-4-one Openeye Name: 3-[[3-(4-bromophenyl)pyrazol-4-ylidene]methylamino]-2-(phenoxymethyl)quinazolin-4-one CAS Name: 3-[[3-(4-bromophenyl)-4-pyrazolylidene]methylamino]-2-(phenoxymethyl)-4-quinazolinone IUPAC Name: 3-[[3-(4-bromophenyl)pyrazol-4-ylidene]methylamino]-2-(phenoxymethyl)quinazolin-4-one Traditional Name: 3-[[3-(4-bromophenyl)pyrazol-4-ylidene]methylamino]-2-(phenoxymethyl)quinazolin-4-one Formula: C25H18BrN5O2 MolecularWeight: 500.34672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2NC=C4C=NN=C4C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2NC=C4C=NN=C4C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H18BrN5O2/c26-19-12-10-17(11-13-19)24-18(14-27-30-24)15-28-31-23(16-33-20-6-2-1-3-7-20)29-22-9-5-4-8-21(22)25(31)32/h1-15,28H,16H2