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

Systemtic Name: 2-(4-ethoxyphenyl)-7-ethyl-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-ethoxyphenyl)-7-ethyl-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine CAS Name: 2-(4-ethoxyphenyl)-7-ethyl-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-ethoxyphenyl)-7-ethyl-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Traditional Name: 7-ethyl-5-[4-(4-methoxyphenyl)phenyl]-2-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C31H29N3O2 MolecularWeight: 475.58086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)OCC)C4=CC=C(C=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)OCC)C4=CC=C(C=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C31H29N3O2/c1-4-21-6-19-29-28(20-21)30(33-34-31(32-29)25-13-17-27(18-14-25)36-5-2)24-9-7-22(8-10-24)23-11-15-26(35-3)16-12-23/h6-20,33H,4-5H2,1-3H3