2-(4-tert-butylphenyl)-7-ethyl-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-tert-butylphenyl)-7-ethyl-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-7-ethyl-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-7-ethyl-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-7-ethyl-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-7-ethyl-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C27H29N3O MolecularWeight: 411.53866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O/c1-6-18-7-16-24-23(17-18)25(19-10-14-22(31-5)15-11-19)29-30-26(28-24)20-8-12-21(13-9-20)27(2,3)4/h7-17,29H,6H2,1-5H3