1-[4-(benzotriazol-1-yl)piperidin-1-yl]-6,7-dimethoxy-phthalazine

Systemtic Name: 1-[4-(benzotriazol-1-yl)piperidin-1-yl]-6,7-dimethoxy-phthalazine Openeye Name: 1-[4-(benzotriazol-1-yl)-1-piperidyl]-6,7-dimethoxy-phthalazine CAS Name: 1-[4-(1-benzotriazolyl)-1-piperidinyl]-6,7-dimethoxyphthalazine IUPAC Name: 1-[4-(benzotriazol-1-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine Traditional Name: 1-[4-(benzotriazol-1-yl)piperidino]-6,7-dimethoxy-phthalazine Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=NN=C2N3CCC(CC3)N4C5=CC=CC=C5N=N4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=NN=C2N3CCC(CC3)N4C5=CC=CC=C5N=N4)OC

InChI

InChI=1S/C21H22N6O2/c1-28-19-11-14-13-22-24-21(16(14)12-20(19)29-2)26-9-7-15(8-10-26)27-18-6-4-3-5-17(18)23-25-27/h3-6,11-13,15H,7-10H2,1-2H3