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

Systemtic Name: 3-nitro-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]-N-propan-2-yl-benzamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-N-isopropyl-3-nitro-benzamide CAS Name: 3-nitro-N-[3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-N-propan-2-ylbenzamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: N-[3-(4-benzylpiperazino)-3-keto-propyl]-N-isopropyl-3-nitro-benzamide Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(=O)N1CCN(CC1)CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CCC(=O)N1CCN(CC1)CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O4/c1-19(2)27(24(30)21-9-6-10-22(17-21)28(31)32)12-11-23(29)26-15-13-25(14-16-26)18-20-7-4-3-5-8-20/h3-10,17,19H,11-16,18H2,1-2H3