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

Systemtic Name: 1-[3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-1-phenyl-propyl]urea Openeye Name: [3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxo-1-phenyl-propyl]urea CAS Name: [3-[4-(2-nitrophenyl)-1-piperazinyl]-3-oxo-1-phenylpropyl]urea IUPAC Name: [3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]urea Traditional Name: [3-keto-3-[4-(2-nitrophenyl)piperazino]-1-phenyl-propyl]urea Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CC(C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CC(C3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C20H23N5O4/c21-20(27)22-16(15-6-2-1-3-7-15)14-19(26)24-12-10-23(11-13-24)17-8-4-5-9-18(17)25(28)29/h1-9,16H,10-14H2,(H3,21,22,27)