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

Systemtic Name: 2-(benzotriazol-1-yl)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalene-1,4-dione Openeye Name: 2-(benzotriazol-1-yl)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalene-1,4-dione CAS Name: 2-(1-benzotriazolyl)-3-[(1,3-dimethyl-4-pyrazolyl)methylamino]naphthalene-1,4-dione IUPAC Name: 2-(benzotriazol-1-yl)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalene-1,4-dione Traditional Name: 2-(benzotriazol-1-yl)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,4-naphthoquinone Formula: C22H18N6O2 MolecularWeight: 398.41732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC2=C(C(=O)C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4)C

Isomeric SMILES

CC1=NN(C=C1CNC2=C(C(=O)C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4)C

InChI

InChI=1S/C22H18N6O2/c1-13-14(12-27(2)25-13)11-23-19-20(28-18-10-6-5-9-17(18)24-26-28)22(30)16-8-4-3-7-15(16)21(19)29/h3-10,12,23H,11H2,1-2H3