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

Systemtic Name: 7-chloranyl-5-(3,4-diethoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-chloro-5-(3,4-diethoxyphenyl)-2-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-chloro-5-(3,4-diethoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-chloro-5-(3,4-diethoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-chloro-5-(3,4-diethoxyphenyl)-2-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C23H21ClN4O2 MolecularWeight: 420.89144

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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)Cl)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4O2/c1-3-29-20-8-5-16(13-21(20)30-4-2)22-18-14-17(24)6-7-19(18)26-23(28-27-22)15-9-11-25-12-10-15/h5-14,27H,3-4H2,1-2H3