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

Systemtic Name: 2-(4-tert-butylphenyl)-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-5-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-5-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-5-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C23H22N4 MolecularWeight: 354.44758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=N2)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=N2)C4=CN=CC=C4

InChI

InChI=1S/C23H22N4/c1-23(2,3)18-12-10-16(11-13-18)22-25-20-9-5-4-8-19(20)21(26-27-22)17-7-6-14-24-15-17/h4-15,26H,1-3H3