4-pyridin-3-yl-2-pyridin-4-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 4-pyridin-3-yl-2-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 4-(3-pyridyl)-2-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 4-(3-pyridinyl)-2-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 4-pyridin-3-yl-2-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 4-(3-pyridyl)-2-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C18H13N5 MolecularWeight: 299.32932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=NC(=N2)C3=CN=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=NC(=N2)C3=CN=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C18H13N5/c1-2-6-16-15(5-1)21-17(13-7-10-19-11-8-13)23-18(22-16)14-4-3-9-20-12-14/h1-12H,(H,21,22,23)