2-[(6-methyl-3-phenyl-1H-benzotriazol-2-yl)methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[(6-methyl-3-phenyl-1H-benzotriazol-2-yl)methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: 2-[(6-methyl-3-phenyl-1H-benzotriazol-2-yl)methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: 2-[(6-methyl-3-phenyl-1H-benzotriazol-2-yl)methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[(6-methyl-3-phenyl-1H-benzotriazol-2-yl)methyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: 2-[(6-methyl-3-phenyl-1H-benzotriazol-2-yl)methyl]-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(N(N2)CN3C(=O)C4=C(C3=O)CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(N(N2)CN3C(=O)C4=C(C3=O)CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C22H22N4O2/c1-15-11-12-20-19(13-15)23-25(26(20)16-7-3-2-4-8-16)14-24-21(27)17-9-5-6-10-18(17)22(24)28/h2-4,7-8,11-13,23H,5-6,9-10,14H2,1H3