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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-7-ethoxy-2-(4-propan-2-ylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-dimethoxyphenyl)-7-ethoxy-2-(4-isopropylphenyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-dimethoxyphenyl)-7-ethoxy-2-(4-propan-2-ylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-dimethoxyphenyl)-7-ethoxy-2-(4-propan-2-ylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-dimethoxyphenyl)-7-ethoxy-2-p-cumenyl-4H-1,3,4-benzotriazepine Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H29N3O3/c1-6-33-21-12-13-23-22(16-21)26(20-11-14-24(31-4)25(15-20)32-5)29-30-27(28-23)19-9-7-18(8-10-19)17(2)3/h7-17,29H,6H2,1-5H3