1-[3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]-3-phenyl-urea

Systemtic Name: 1-[3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]-3-phenyl-urea Openeye Name: 1-[2-methyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]-3-phenyl-urea CAS Name: 1-[3-methyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxobutan-2-yl]-3-phenylurea IUPAC Name: 1-[3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-phenylurea Traditional Name: 1-[2-methyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]-3-phenyl-urea Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27N5O4/c1-16(2)20(24-22(29)23-17-6-4-3-5-7-17)21(28)26-14-12-25(13-15-26)18-8-10-19(11-9-18)27(30)31/h3-11,16,20H,12-15H2,1-2H3,(H2,23,24,29)