5-(3-chlorophenyl)-7-propan-2-yl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3-chlorophenyl)-7-propan-2-yl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3-chlorophenyl)-7-isopropyl-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3-chlorophenyl)-7-propan-2-yl-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3-chlorophenyl)-7-propan-2-yl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3-chlorophenyl)-7-isopropyl-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C22H19ClN4 MolecularWeight: 374.86606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CN=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CN=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H19ClN4/c1-14(2)15-8-9-20-19(12-15)21(16-5-3-7-18(23)11-16)26-27-22(25-20)17-6-4-10-24-13-17/h3-14,26H,1-2H3