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

Systemtic Name: 7-methyl-2-(4-propan-2-ylphenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-isopropylphenyl)-7-methyl-5-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-methyl-2-(4-propan-2-ylphenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-methyl-2-(4-propan-2-ylphenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-methyl-2-p-cumenyl-5-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C23H22N4 MolecularWeight: 354.44758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)C)C4=CC=NC=C4

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)C)C4=CC=NC=C4

InChI

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