7-ethyl-5-(4-nitrophenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-ethyl-5-(4-nitrophenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-ethyl-5-(4-nitrophenyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethyl-5-(4-nitrophenyl)-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethyl-5-(4-nitrophenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-ethyl-5-(4-nitrophenyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CN=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CN=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O2/c1-2-14-5-10-19-18(12-14)20(15-6-8-17(9-7-15)26(27)28)24-25-21(23-19)16-4-3-11-22-13-16/h3-13,24H,2H2,1H3