1-[2-(dimethylamino)-6-[4-(4-phenylimidazol-1-yl)butoxy]phenyl]-3-pentyl-urea

Systemtic Name: 1-[2-(dimethylamino)-6-[4-(4-phenylimidazol-1-yl)butoxy]phenyl]-3-pentyl-urea Openeye Name: 1-[2-(dimethylamino)-6-[4-(4-phenylimidazol-1-yl)butoxy]phenyl]-3-pentyl-urea CAS Name: 1-[2-(dimethylamino)-6-[4-(4-phenyl-1-imidazolyl)butoxy]phenyl]-3-pentylurea IUPAC Name: 1-[2-(dimethylamino)-6-[4-(4-phenylimidazol-1-yl)butoxy]phenyl]-3-pentylurea Traditional Name: 1-amyl-3-[2-(dimethylamino)-6-[4-(4-phenylimidazol-1-yl)butoxy]phenyl]urea Formula: C27H37N5O2 MolecularWeight: 463.61498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=C(C=CC=C1OCCCCN2C=C(N=C2)C3=CC=CC=C3)N(C)C

Isomeric SMILES

CCCCCNC(=O)NC1=C(C=CC=C1OCCCCN2C=C(N=C2)C3=CC=CC=C3)N(C)C

InChI

InChI=1S/C27H37N5O2/c1-4-5-9-17-28-27(33)30-26-24(31(2)3)15-12-16-25(26)34-19-11-10-18-32-20-23(29-21-32)22-13-7-6-8-14-22/h6-8,12-16,20-21H,4-5,9-11,17-19H2,1-3H3,(H2,28,30,33)