1-(2-nitrophenyl)-3-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]urea

Systemtic Name: 1-(2-nitrophenyl)-3-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]urea Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-nitrophenyl)urea CAS Name: 1-(2-nitrophenyl)-3-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]urea IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-nitrophenyl)urea Traditional Name: 1-[2-(4-benzylpiperazino)ethyl]-3-(2-nitrophenyl)urea Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)NC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCNC(=O)NC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O3/c26-20(22-18-8-4-5-9-19(18)25(27)28)21-10-11-23-12-14-24(15-13-23)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H2,21,22,26)