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

Systemtic Name: 2-(4-butoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-butoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(4-butoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 2-(4-butoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 2-(4-butoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C3N2)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C3N2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H25N3O2/c1-3-4-17-30-21-15-11-19(12-16-21)25-27-23-8-6-5-7-22(23)26-24(28-25)18-9-13-20(29-2)14-10-18/h5-16H,3-4,17H2,1-2H3,(H,26,27,28)