1-(4-nitrophenyl)-3-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]urea

Systemtic Name: 1-(4-nitrophenyl)-3-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]urea Openeye Name: 1-(4-nitrophenyl)-3-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]urea CAS Name: 1-(4-nitrophenyl)-3-[[2-[(4-phenyl-1-piperazinyl)methyl]phenyl]methyl]urea IUPAC Name: 1-(4-nitrophenyl)-3-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]urea Traditional Name: 1-(4-nitrophenyl)-3-[2-[(4-phenylpiperazino)methyl]benzyl]urea Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2CNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2CNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O3/c31-25(27-22-10-12-24(13-11-22)30(32)33)26-18-20-6-4-5-7-21(20)19-28-14-16-29(17-15-28)23-8-2-1-3-9-23/h1-13H,14-19H2,(H2,26,27,31)