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

Systemtic Name: 2-(4-tert-butylphenyl)-7-ethyl-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-7-ethyl-5-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-7-ethyl-5-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-7-ethyl-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-7-ethyl-5-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C25H26N4 MolecularWeight: 382.50074

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4/c1-5-17-6-11-22-21(16-17)23(18-12-14-26-15-13-18)28-29-24(27-22)19-7-9-20(10-8-19)25(2,3)4/h6-16,28H,5H2,1-4H3