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

Systemtic Name: 5-(3,4-diethoxyphenyl)-7-methyl-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-diethoxyphenyl)-7-methyl-2-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-diethoxyphenyl)-7-methyl-2-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-diethoxyphenyl)-7-methyl-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-diethoxyphenyl)-7-methyl-2-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O2/c1-4-29-21-9-7-18(15-22(21)30-5-2)23-19-14-16(3)6-8-20(19)26-24(28-27-23)17-10-12-25-13-11-17/h6-15,27H,4-5H2,1-3H3