N-carboxy-N-[[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-1-pyridin-2-yl-propan-2-amine oxide

Systemtic Name: N-carboxy-N-[[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-1-pyridin-2-yl-propan-2-amine oxide Openeye Name: N-carboxy-N-[[1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]-1-(2-pyridyl)propan-2-amine oxide CAS Name: N-carboxy-N-[[1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]amino]-1-(2-pyridinyl)-2-propanamine oxide IUPAC Name: N-carboxy-N-[[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-1-pyridin-2-ylpropan-2-amine oxide Traditional Name: N-carboxy-N-[[2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]amino]-1-(2-pyridyl)propan-2-amine oxide Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=N1)[N+](C(=O)O)(NC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC(CC1=CC=CC=N1)[N+](C(=O)O)(NC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C22H29N5O4/c1-17(16-19-8-6-7-11-23-19)27(31,22(29)30)24-18(2)21(28)26-14-12-25(13-15-26)20-9-4-3-5-10-20/h3-11,17-18,24H,12-16H2,1-2H3,(H,29,30)