4-[[4-[4-(cyclopropylamino)-3-nitro-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(cyclopropylamino)-3-nitro-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(cyclopropylamino)-3-nitro-benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(cyclopropylamino)-3-nitrobenzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(cyclopropylamino)-3-nitro-benzoyl]piperazino]methyl]benzonitrile Formula: C22H23N5O3 MolecularWeight: 405.44972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3/c23-14-16-1-3-17(4-2-16)15-25-9-11-26(12-10-25)22(28)18-5-8-20(24-19-6-7-19)21(13-18)27(29)30/h1-5,8,13,19,24H,6-7,9-12,15H2