1-[[4-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]methyl]-3-propan-2-yl-urea

Systemtic Name: 1-[[4-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]methyl]-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-[[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]methyl]urea CAS Name: 1-[[4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-3-propan-2-ylurea IUPAC Name: 1-[[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzyl]urea Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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