2-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: 2-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one Openeye Name: 2-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one CAS Name: 2-[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 2-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: 2-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one Formula: C28H22FN5O2 MolecularWeight: 479.504983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C28H22FN5O2/c1-36-26-15-10-18(16-19(26)17-33-25-9-5-4-8-24(25)31-32-33)27-30-23-7-3-2-6-22(23)28(35)34(27)21-13-11-20(29)12-14-21/h2-16,27,30H,17H2,1H3