5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine Formula: C29H27N3O2 MolecularWeight: 449.54358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=NC(=NN2)C5=CC=C(C=C5)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=NC(=NN2)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H27N3O2/c1-3-4-19-34-24-16-9-21(10-17-24)27-26-18-13-20-7-5-6-8-25(20)28(26)30-29(32-31-27)22-11-14-23(33-2)15-12-22/h5-18,31H,3-4,19H2,1-2H3