2-[[(2S)-1-(benzotriazol-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]naphthalene-1,4-dione

Systemtic Name: 2-[[(2S)-1-(benzotriazol-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]naphthalene-1,4-dione Openeye Name: 2-[[(1S)-2-(benzotriazol-1-yl)-1-benzyl-2-oxo-ethyl]amino]naphthalene-1,4-dione CAS Name: 2-[[(2S)-1-(1-benzotriazolyl)-1-oxo-3-phenylpropan-2-yl]amino]naphthalene-1,4-dione IUPAC Name: 2-[[(2S)-1-(benzotriazol-1-yl)-1-oxo-3-phenylpropan-2-yl]amino]naphthalene-1,4-dione Traditional Name: 2-[[(1S)-2-(benzotriazol-1-yl)-1-benzyl-2-keto-ethyl]amino]-1,4-naphthoquinone Formula: C25H18N4O3 MolecularWeight: 422.43542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N2C3=CC=CC=C3N=N2)NC4=CC(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N2C3=CC=CC=C3N=N2)NC4=CC(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H18N4O3/c30-23-15-20(24(31)18-11-5-4-10-17(18)23)26-21(14-16-8-2-1-3-9-16)25(32)29-22-13-7-6-12-19(22)27-28-29/h1-13,15,21,26H,14H2/t21-/m0/s1