7-ethoxy-2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-4H-1,3,4-benzotriazepine

Systemtic Name: 7-ethoxy-2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-4H-1,3,4-benzotriazepine Openeye Name: 7-ethoxy-5-(4-isobutoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethoxy-2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethoxy-2-(4-methoxyphenyl)-5-[4-(2-methylpropoxy)phenyl]-4H-1,3,4-benzotriazepine Traditional Name: 7-ethoxy-5-(4-isobutoxyphenyl)-2-(4-methoxyphenyl)-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)OC)C4=CC=C(C=C4)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3/c1-5-32-23-14-15-25-24(16-23)26(19-6-12-22(13-7-19)33-17-18(2)3)29-30-27(28-25)20-8-10-21(31-4)11-9-20/h6-16,18,29H,5,17H2,1-4H3