7-methyl-5-[4-(2-methylpropoxy)phenyl]-2-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-methyl-5-[4-(2-methylpropoxy)phenyl]-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-isobutoxyphenyl)-7-methyl-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-methyl-5-[4-(2-methylpropoxy)phenyl]-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-methyl-5-[4-(2-methylpropoxy)phenyl]-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-isobutoxyphenyl)-7-methyl-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C24H24N4O MolecularWeight: 384.47356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O/c1-16(2)15-29-20-9-7-18(8-10-20)23-21-13-17(3)6-11-22(21)26-24(28-27-23)19-5-4-12-25-14-19/h4-14,16,27H,15H2,1-3H3