5-(4-butoxyphenyl)-7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)OC)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)OC)OCC

InChI

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