2-(3,4-diethoxyphenyl)-8-methyl-4-pyridin-4-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 2-(3,4-diethoxyphenyl)-8-methyl-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 2-(3,4-diethoxyphenyl)-8-methyl-4-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(3,4-diethoxyphenyl)-8-methyl-4-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 2-(3,4-diethoxyphenyl)-8-methyl-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 2-(3,4-diethoxyphenyl)-8-methyl-4-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)C)C4=CC=NC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)C)C4=CC=NC=C4)OCC

InChI

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