2-(3,4-dimethoxyphenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 2-(3,4-dimethoxyphenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 2-(3,4-dimethoxyphenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(3,4-dimethoxyphenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 2-(3,4-dimethoxyphenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 2-(3,4-dimethoxyphenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H25N3O3/c1-5-16-6-12-20-21(14-16)27-25(18-9-13-22(30-3)23(15-18)31-4)28-24(26-20)17-7-10-19(29-2)11-8-17/h6-15H,5H2,1-4H3,(H,26,27,28)