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

Systemtic Name: 2-(benzotriazol-1-yl)-3-[(1-ethyl-5-methyl-pyrazol-4-yl)methylamino]naphthalene-1,4-dione Openeye Name: 2-(benzotriazol-1-yl)-3-[(1-ethyl-5-methyl-pyrazol-4-yl)methylamino]naphthalene-1,4-dione CAS Name: 2-(1-benzotriazolyl)-3-[(1-ethyl-5-methyl-4-pyrazolyl)methylamino]naphthalene-1,4-dione IUPAC Name: 2-(benzotriazol-1-yl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]naphthalene-1,4-dione Traditional Name: 2-(benzotriazol-1-yl)-3-[(1-ethyl-5-methyl-pyrazol-4-yl)methylamino]-1,4-naphthoquinone Formula: C23H20N6O2 MolecularWeight: 412.4439

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CNC2=C(C(=O)C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4)C

Isomeric SMILES

CCN1C(=C(C=N1)CNC2=C(C(=O)C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4)C

InChI

InChI=1S/C23H20N6O2/c1-3-28-14(2)15(13-25-28)12-24-20-21(29-19-11-7-6-10-18(19)26-27-29)23(31)17-9-5-4-8-16(17)22(20)30/h4-11,13,24H,3,12H2,1-2H3