2-(4-tert-butylphenyl)-7-ethoxy-5-pyridin-4-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C4=CC=NC=C4

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C4=CC=NC=C4

InChI

InChI=1S/C25H26N4O/c1-5-30-20-10-11-22-21(16-20)23(17-12-14-26-15-13-17)28-29-24(27-22)18-6-8-19(9-7-18)25(2,3)4/h6-16,28H,5H2,1-4H3