4-[2-[4-[[methyl-(4-nitrophenyl)amino]methyl]-4-oxidanyl-piperidin-1-yl]ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-[4-[[methyl-(4-nitrophenyl)amino]methyl]-4-oxidanyl-piperidin-1-yl]ethyl]benzenecarbonitrile Openeye Name: 4-[2-[4-hydroxy-4-[(N-methyl-4-nitro-anilino)methyl]-1-piperidyl]ethyl]benzonitrile CAS Name: 4-[2-[4-hydroxy-4-[(N-methyl-4-nitroanilino)methyl]-1-piperidinyl]ethyl]benzonitrile IUPAC Name: 4-[2-[4-hydroxy-4-[(N-methyl-4-nitroanilino)methyl]piperidin-1-yl]ethyl]benzonitrile Traditional Name: 4-[2-[4-hydroxy-4-[(N-methyl-4-nitro-anilino)methyl]piperidino]ethyl]benzonitrile Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1(CCN(CC1)CCC2=CC=C(C=C2)C#N)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1(CCN(CC1)CCC2=CC=C(C=C2)C#N)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O3/c1-24(20-6-8-21(9-7-20)26(28)29)17-22(27)11-14-25(15-12-22)13-10-18-2-4-19(16-23)5-3-18/h2-9,27H,10-15,17H2,1H3