8-chloranyl-4-(4-methoxyphenyl)-2-pyridin-3-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-chloranyl-4-(4-methoxyphenyl)-2-pyridin-3-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-chloro-4-(4-methoxyphenyl)-2-(3-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 8-chloro-4-(4-methoxyphenyl)-2-(3-pyridinyl)-1H-1,3,5-benzotriazepine IUPAC Name: 8-chloro-4-(4-methoxyphenyl)-2-pyridin-3-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-chloro-4-(4-methoxyphenyl)-2-(3-pyridyl)-1H-1,3,5-benzotriazepine Formula: C20H15ClN4O MolecularWeight: 362.8123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)NC(=N2)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)NC(=N2)C4=CN=CC=C4

InChI

InChI=1S/C20H15ClN4O/c1-26-16-7-4-13(5-8-16)19-23-17-9-6-15(21)11-18(17)24-20(25-19)14-3-2-10-22-12-14/h2-12H,1H3,(H,23,24,25)