5-(4-phenyl-1,2,3-triazol-1-yl)-2-(2-piperazin-1-ylethyl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 5-(4-phenyl-1,2,3-triazol-1-yl)-2-(2-piperazin-1-ylethyl)benzo[de]isoquinoline-1,3-dione Openeye Name: 5-(4-phenyltriazol-1-yl)-2-(2-piperazin-1-ylethyl)benzo[de]isoquinoline-1,3-dione CAS Name: 5-(4-phenyl-1-triazolyl)-2-[2-(1-piperazinyl)ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 5-(4-phenyltriazol-1-yl)-2-(2-piperazin-1-ylethyl)benzo[de]isoquinoline-1,3-dione Traditional Name: 5-(4-phenyltriazol-1-yl)-2-(2-piperazinoethyl)benzo[de]isoquinoline-1,3-quinone Formula: C26H24N6O2 MolecularWeight: 452.50776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)N5C=C(N=N5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)N5C=C(N=N5)C6=CC=CC=C6

InChI

InChI=1S/C26H24N6O2/c33-25-21-8-4-7-19-15-20(32-17-23(28-29-32)18-5-2-1-3-6-18)16-22(24(19)21)26(34)31(25)14-13-30-11-9-27-10-12-30/h1-8,15-17,27H,9-14H2