3-cyclohexyl-1-(3-methoxypropyl)-1-[[2-[4-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]urea

Systemtic Name: 3-cyclohexyl-1-(3-methoxypropyl)-1-[[2-[4-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]urea Openeye Name: 3-cyclohexyl-1-(3-methoxypropyl)-1-[[2-[4-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]urea CAS Name: 3-cyclohexyl-1-(3-methoxypropyl)-1-[[2-[4-(1-piperazinylmethyl)phenyl]phenyl]methyl]urea IUPAC Name: 3-cyclohexyl-1-(3-methoxypropyl)-1-[[2-[4-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]urea Traditional Name: 3-cyclohexyl-1-(3-methoxypropyl)-1-[2-[4-(piperazinomethyl)phenyl]benzyl]urea Formula: C29H42N4O2 MolecularWeight: 478.66938

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=CC=CC=C1C2=CC=C(C=C2)CN3CCNCC3)C(=O)NC4CCCCC4

Isomeric SMILES

COCCCN(CC1=CC=CC=C1C2=CC=C(C=C2)CN3CCNCC3)C(=O)NC4CCCCC4

InChI

InChI=1S/C29H42N4O2/c1-35-21-7-18-33(29(34)31-27-9-3-2-4-10-27)23-26-8-5-6-11-28(26)25-14-12-24(13-15-25)22-32-19-16-30-17-20-32/h5-6,8,11-15,27,30H,2-4,7,9-10,16-23H2,1H3,(H,31,34)