5-(3,4-diethoxyphenyl)-7-methoxy-2-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3,4-diethoxyphenyl)-7-methoxy-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-diethoxyphenyl)-7-methoxy-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-diethoxyphenyl)-7-methoxy-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-diethoxyphenyl)-7-methoxy-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-diethoxyphenyl)-7-methoxy-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CN=CC=C4)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CN=CC=C4)OC)OCC

InChI

InChI=1S/C24H24N4O3/c1-4-30-21-11-8-16(13-22(21)31-5-2)23-19-14-18(29-3)9-10-20(19)26-24(28-27-23)17-7-6-12-25-15-17/h6-15,27H,4-5H2,1-3H3