1-butyl-3-[2-(dimethylamino)-6-[(E)-4-(4-phenylimidazol-1-yl)but-1-enyl]phenyl]urea

Systemtic Name: 1-butyl-3-[2-(dimethylamino)-6-[(E)-4-(4-phenylimidazol-1-yl)but-1-enyl]phenyl]urea Openeye Name: 1-butyl-3-[2-(dimethylamino)-6-[(E)-4-(4-phenylimidazol-1-yl)but-1-enyl]phenyl]urea CAS Name: 1-butyl-3-[2-(dimethylamino)-6-[(E)-4-(4-phenyl-1-imidazolyl)but-1-enyl]phenyl]urea IUPAC Name: 1-butyl-3-[2-(dimethylamino)-6-[(E)-4-(4-phenylimidazol-1-yl)but-1-enyl]phenyl]urea Traditional Name: 1-butyl-3-[2-(dimethylamino)-6-[(E)-4-(4-phenylimidazol-1-yl)but-1-enyl]phenyl]urea Formula: C26H33N5O MolecularWeight: 431.57312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(C=CC=C1N(C)C)C=CCCN2C=C(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)NC1=C(C=CC=C1N(C)C)/C=C/CCN2C=C(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H33N5O/c1-4-5-17-27-26(32)29-25-22(15-11-16-24(25)30(2)3)14-9-10-18-31-19-23(28-20-31)21-12-7-6-8-13-21/h6-9,11-16,19-20H,4-5,10,17-18H2,1-3H3,(H2,27,29,32)/b14-9+