4-[4-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-nitro-N-propan-2-yl-benzamide

Systemtic Name: 4-[4-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-nitro-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-4-[4-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-4-[4-[2-keto-2-(2-methylpiperidino)ethyl]piperazino]-3-nitro-benzamide Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H33N5O4/c1-16(2)23-22(29)18-7-8-19(20(14-18)27(30)31)25-12-10-24(11-13-25)15-21(28)26-9-5-4-6-17(26)3/h7-8,14,16-17H,4-6,9-13,15H2,1-3H3,(H,23,29)