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

Systemtic Name: 1-[2-(dimethylamino)-6-[4-(5-methyl-4-phenyl-imidazol-1-yl)butyl]phenyl]-3-pentyl-urea Openeye Name: 1-[2-(dimethylamino)-6-[4-(5-methyl-4-phenyl-imidazol-1-yl)butyl]phenyl]-3-pentyl-urea CAS Name: 1-[2-(dimethylamino)-6-[4-(5-methyl-4-phenyl-1-imidazolyl)butyl]phenyl]-3-pentylurea IUPAC Name: 1-[2-(dimethylamino)-6-[4-(5-methyl-4-phenylimidazol-1-yl)butyl]phenyl]-3-pentylurea Traditional Name: 1-amyl-3-[2-(dimethylamino)-6-[4-(5-methyl-4-phenyl-imidazol-1-yl)butyl]phenyl]urea Formula: C28H39N5O MolecularWeight: 461.64216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=C(C=CC=C1N(C)C)CCCCN2C=NC(=C2C)C3=CC=CC=C3

Isomeric SMILES

CCCCCNC(=O)NC1=C(C=CC=C1N(C)C)CCCCN2C=NC(=C2C)C3=CC=CC=C3

InChI

InChI=1S/C28H39N5O/c1-5-6-11-19-29-28(34)31-27-24(17-13-18-25(27)32(3)4)16-10-12-20-33-21-30-26(22(33)2)23-14-8-7-9-15-23/h7-9,13-15,17-18,21H,5-6,10-12,16,19-20H2,1-4H3,(H2,29,31,34)