5-(azepan-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(azepan-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-(4-nitrophenyl)oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-(4-nitrophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-(4-nitrophenyl)oxazole-4-carbonitrile Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H16N4O3/c17-11-14-16(19-9-3-1-2-4-10-19)23-15(18-14)12-5-7-13(8-6-12)20(21)22/h5-8H,1-4,9-10H2