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

Systemtic Name: 8-methoxy-2-[4-(2-methylpropoxy)phenyl]-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-isobutoxyphenyl)-8-methoxy-4-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 8-methoxy-2-[4-(2-methylpropoxy)phenyl]-4-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-methoxy-2-[4-(2-methylpropoxy)phenyl]-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 2-(4-isobutoxyphenyl)-8-methoxy-4-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC)C4=CC=NC=C4

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC)C4=CC=NC=C4

InChI

InChI=1S/C24H24N4O2/c1-16(2)15-30-19-6-4-17(5-7-19)23-27-22-14-20(29-3)8-9-21(22)26-24(28-23)18-10-12-25-13-11-18/h4-14,16H,15H2,1-3H3,(H,26,27,28)