1-[3-(1H-benzimidazol-2-yl)propyl]-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]urea

Systemtic Name: 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]urea Openeye Name: 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]urea CAS Name: 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]urea IUPAC Name: 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]urea Traditional Name: 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]urea Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)NCCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)NCCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N5O5/c1-30-18-12-14(17(26(28)29)13-19(18)31-2)9-11-23-21(27)22-10-5-8-20-24-15-6-3-4-7-16(15)25-20/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,24,25)(H2,22,23,27)