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

Systemtic Name: 7-chloranyl-5-(4-ethoxyphenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-chloro-5-(4-ethoxyphenyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-chloro-5-(4-ethoxyphenyl)-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-chloro-5-(4-ethoxyphenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-chloro-5-p-phenetyl-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C21H17ClN4O MolecularWeight: 376.83888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O/c1-2-27-17-8-5-14(6-9-17)20-18-12-16(22)7-10-19(18)24-21(26-25-20)15-4-3-11-23-13-15/h3-13,25H,2H2,1H3