1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(4-methoxy-2-nitro-phenyl)urea

Systemtic Name: 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(4-methoxy-2-nitro-phenyl)urea Openeye Name: 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(4-methoxy-2-nitro-phenyl)urea CAS Name: 1-[[2-[(4-ethyl-1-piperazinyl)methyl]phenyl]methyl]-3-(4-methoxy-2-nitrophenyl)urea IUPAC Name: 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(4-methoxy-2-nitrophenyl)urea Traditional Name: 1-[2-[(4-ethylpiperazino)methyl]benzyl]-3-(4-methoxy-2-nitro-phenyl)urea Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=CC=C2CNC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=CC=C2CNC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O4/c1-3-25-10-12-26(13-11-25)16-18-7-5-4-6-17(18)15-23-22(28)24-20-9-8-19(31-2)14-21(20)27(29)30/h4-9,14H,3,10-13,15-16H2,1-2H3,(H2,23,24,28)