2-(benzotriazol-1-yl)-3-(4-phenylpiperazin-1-yl)naphthalene-1,4-dione

Systemtic Name: 2-(benzotriazol-1-yl)-3-(4-phenylpiperazin-1-yl)naphthalene-1,4-dione Openeye Name: 2-(benzotriazol-1-yl)-3-(4-phenylpiperazin-1-yl)naphthalene-1,4-dione CAS Name: 2-(1-benzotriazolyl)-3-(4-phenyl-1-piperazinyl)naphthalene-1,4-dione IUPAC Name: 2-(benzotriazol-1-yl)-3-(4-phenylpiperazin-1-yl)naphthalene-1,4-dione Traditional Name: 2-(benzotriazol-1-yl)-3-(4-phenylpiperazino)-1,4-naphthoquinone Formula: C26H21N5O2 MolecularWeight: 435.47724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C26H21N5O2/c32-25-19-10-4-5-11-20(19)26(33)24(31-22-13-7-6-12-21(22)27-28-31)23(25)30-16-14-29(15-17-30)18-8-2-1-3-9-18/h1-13H,14-17H2