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

Systemtic Name: (2S)-2-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one Formula: C28H23N5O2 MolecularWeight: 461.51452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C28H23N5O2/c1-35-26-16-15-19(17-20(26)18-32-25-14-8-7-13-24(25)30-31-32)27-29-23-12-6-5-11-22(23)28(34)33(27)21-9-3-2-4-10-21/h2-17,27,29H,18H2,1H3/t27-/m0/s1