5-(3,4-dimethoxyphenyl)-7-methoxy-2-(4-propan-2-ylphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3,4-dimethoxyphenyl)-7-methoxy-2-(4-propan-2-ylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-dimethoxyphenyl)-2-(4-isopropylphenyl)-7-methoxy-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-dimethoxyphenyl)-7-methoxy-2-(4-propan-2-ylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-dimethoxyphenyl)-7-methoxy-2-(4-propan-2-ylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-dimethoxyphenyl)-7-methoxy-2-p-cumenyl-4H-1,3,4-benzotriazepine Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H27N3O3/c1-16(2)17-6-8-18(9-7-17)26-27-22-12-11-20(30-3)15-21(22)25(28-29-26)19-10-13-23(31-4)24(14-19)32-5/h6-16,28H,1-5H3