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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCN(CC1)CCC2=CC=CC=C2C#N)O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1(CCN(CC1)CCC2=CC=CC=C2C#N)O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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