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

Systemtic Name: 8-chloranyl-4-(4-methoxyphenyl)-2-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-chloro-4-(4-methoxyphenyl)-2-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 8-chloro-4-(4-methoxyphenyl)-2-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-chloro-4-(4-methoxyphenyl)-2-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-chloro-4-(4-methoxyphenyl)-2-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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