4-(4-tert-butylphenyl)-8-ethyl-2-pyridin-3-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-tert-butylphenyl)-8-ethyl-2-pyridin-3-yl-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-tert-butylphenyl)-8-ethyl-2-(3-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 4-(4-tert-butylphenyl)-8-ethyl-2-(3-pyridinyl)-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-tert-butylphenyl)-8-ethyl-2-pyridin-3-yl-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-tert-butylphenyl)-8-ethyl-2-(3-pyridyl)-1H-1,3,5-benzotriazepine Formula: C25H26N4 MolecularWeight: 382.50074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CN=CC=C3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CN=CC=C3)C4=CC=C(C=C4)C(C)(C)C

InChI

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