4-[(4-nitrophenyl)amino]-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-[(4-nitrophenyl)amino]-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-nitroanilino)-1-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]butan-1-one CAS Name: 4-(4-nitroanilino)-1-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-nitroanilino)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(2-keto-2-piperidino-ethyl)piperazino]-4-(4-nitroanilino)butan-1-one Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O4/c27-20(5-4-10-22-18-6-8-19(9-7-18)26(29)30)25-15-13-23(14-16-25)17-21(28)24-11-2-1-3-12-24/h6-9,22H,1-5,10-17H2