5-nitro-2-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylamino)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylamino)benzenecarbonitrile Openeye Name: 5-nitro-2-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylamino)benzonitrile CAS Name: 5-nitro-2-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylamino)benzonitrile IUPAC Name: 5-nitro-2-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylamino)benzonitrile Traditional Name: 5-nitro-2-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylamino)benzonitrile Formula: C19H17N5O2 MolecularWeight: 347.37058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(N2CC1)C=CC(=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=NC3=C(N2CC1)C=CC(=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H17N5O2/c20-12-13-10-15(24(25)26)6-7-16(13)21-14-5-8-18-17(11-14)22-19-4-2-1-3-9-23(18)19/h5-8,10-11,21H,1-4,9H2