1-butyl-3-[2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]ethyl]urea

Systemtic Name: 1-butyl-3-[2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]ethyl]urea Openeye Name: 1-butyl-3-[2-[4-[1-(3-imidazol-1-ylpropylamino)-1-methyl-ethyl]phenyl]ethyl]urea CAS Name: 1-butyl-3-[2-[4-[2-[3-(1-imidazolyl)propylamino]propan-2-yl]phenyl]ethyl]urea IUPAC Name: 1-butyl-3-[2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]ethyl]urea Traditional Name: 1-butyl-3-[2-[4-[1-(3-imidazol-1-ylpropylamino)-1-methyl-ethyl]phenyl]ethyl]urea Formula: C22H35N5O MolecularWeight: 385.5462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NCCC1=CC=C(C=C1)C(C)(C)NCCCN2C=CN=C2

Isomeric SMILES

CCCCNC(=O)NCCC1=CC=C(C=C1)C(C)(C)NCCCN2C=CN=C2

InChI

InChI=1S/C22H35N5O/c1-4-5-12-24-21(28)25-14-11-19-7-9-20(10-8-19)22(2,3)26-13-6-16-27-17-15-23-18-27/h7-10,15,17-18,26H,4-6,11-14,16H2,1-3H3,(H2,24,25,28)