6-(2H-benzotriazol-5-yl)-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridine

Systemtic Name: 6-(2H-benzotriazol-5-yl)-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridine Openeye Name: 6-(2H-benzotriazol-5-yl)-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridine CAS Name: 6-(2H-benzotriazol-5-yl)-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridine IUPAC Name: 6-(2H-benzotriazol-5-yl)-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridine Traditional Name: 6-(2H-benzotriazol-5-yl)-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridine Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3CCCCC3N=C2C4=CC5=NNN=C5C=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3CCCCC3N=C2C4=CC5=NNN=C5C=C4)OC

InChI

InChI=1S/C21H22N4O2/c1-26-19-10-14-13-5-3-4-6-16(13)22-21(15(14)11-20(19)27-2)12-7-8-17-18(9-12)24-25-23-17/h7-11,13,16H,3-6H2,1-2H3,(H,23,24,25)