2-(4-propan-2-ylphenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-propan-2-ylphenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-isopropylphenyl)-5-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-propan-2-ylphenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-propan-2-ylphenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-p-cumenyl-5-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C22H20N4 MolecularWeight: 340.421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4/c1-15(2)16-7-9-18(10-8-16)22-24-20-6-4-3-5-19(20)21(25-26-22)17-11-13-23-14-12-17/h3-15,25H,1-2H3