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

Systemtic Name: 1-[[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(3-nitrophenyl)urea Openeye Name: 1-[[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(3-nitrophenyl)urea CAS Name: 1-[[2-[(4-methyl-1-piperazinyl)methyl]phenyl]methyl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(3-nitrophenyl)urea Traditional Name: 1-[2-[(4-methylpiperazino)methyl]benzyl]-3-(3-nitrophenyl)urea Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=CC=C2CNC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CC2=CC=CC=C2CNC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O3/c1-23-9-11-24(12-10-23)15-17-6-3-2-5-16(17)14-21-20(26)22-18-7-4-8-19(13-18)25(27)28/h2-8,13H,9-12,14-15H2,1H3,(H2,21,22,26)