1-[2-[3-(5-methyl-4-phenyl-imidazol-1-yl)propoxy]-6-nitro-phenyl]-3-pentyl-urea

Systemtic Name: 1-[2-[3-(5-methyl-4-phenyl-imidazol-1-yl)propoxy]-6-nitro-phenyl]-3-pentyl-urea Openeye Name: 1-[2-[3-(5-methyl-4-phenyl-imidazol-1-yl)propoxy]-6-nitro-phenyl]-3-pentyl-urea CAS Name: 1-[2-[3-(5-methyl-4-phenyl-1-imidazolyl)propoxy]-6-nitrophenyl]-3-pentylurea IUPAC Name: 1-[2-[3-(5-methyl-4-phenylimidazol-1-yl)propoxy]-6-nitrophenyl]-3-pentylurea Traditional Name: 1-amyl-3-[2-[3-(5-methyl-4-phenyl-imidazol-1-yl)propoxy]-6-nitro-phenyl]urea Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=C(C=CC=C1OCCCN2C=NC(=C2C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC(=O)NC1=C(C=CC=C1OCCCN2C=NC(=C2C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H31N5O4/c1-3-4-8-15-26-25(31)28-24-21(30(32)33)13-9-14-22(24)34-17-10-16-29-18-27-23(19(29)2)20-11-6-5-7-12-20/h5-7,9,11-14,18H,3-4,8,10,15-17H2,1-2H3,(H2,26,28,31)