2-(benzotriazol-1-yl)-3-[(3,5-dimethoxyphenyl)methylamino]naphthalene-1,4-dione

Systemtic Name: 2-(benzotriazol-1-yl)-3-[(3,5-dimethoxyphenyl)methylamino]naphthalene-1,4-dione Openeye Name: 2-(benzotriazol-1-yl)-3-[(3,5-dimethoxyphenyl)methylamino]naphthalene-1,4-dione CAS Name: 2-(1-benzotriazolyl)-3-[(3,5-dimethoxyphenyl)methylamino]naphthalene-1,4-dione IUPAC Name: 2-(benzotriazol-1-yl)-3-[(3,5-dimethoxyphenyl)methylamino]naphthalene-1,4-dione Traditional Name: 2-(benzotriazol-1-yl)-3-[(3,5-dimethoxybenzyl)amino]-1,4-naphthoquinone Formula: C25H20N4O4 MolecularWeight: 440.4507

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CNC2=C(C(=O)C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CNC2=C(C(=O)C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4)OC

InChI

InChI=1S/C25H20N4O4/c1-32-16-11-15(12-17(13-16)33-2)14-26-22-23(29-21-10-6-5-9-20(21)27-28-29)25(31)19-8-4-3-7-18(19)24(22)30/h3-13,26H,14H2,1-2H3