1-[(5-imidazol-1-yl-2-methoxy-phenyl)methyl]-1-pentyl-3-[2-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea

Systemtic Name: 1-[(5-imidazol-1-yl-2-methoxy-phenyl)methyl]-1-pentyl-3-[2-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea Openeye Name: 1-[(5-imidazol-1-yl-2-methoxy-phenyl)methyl]-1-pentyl-3-[2-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea CAS Name: 1-[[5-(1-imidazolyl)-2-methoxyphenyl]methyl]-1-pentyl-3-[2-[3-(4-phenyl-1-piperazinyl)propoxy]phenyl]urea IUPAC Name: 1-[(5-imidazol-1-yl-2-methoxyphenyl)methyl]-1-pentyl-3-[2-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]urea Traditional Name: 1-amyl-1-(5-imidazol-1-yl-2-methoxy-benzyl)-3-[2-[3-(4-phenylpiperazino)propoxy]phenyl]urea Formula: C36H46N6O3 MolecularWeight: 610.78884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=C(C=CC(=C1)N2C=CN=C2)OC)C(=O)NC3=CC=CC=C3OCCCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCCCCN(CC1=C(C=CC(=C1)N2C=CN=C2)OC)C(=O)NC3=CC=CC=C3OCCCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C36H46N6O3/c1-3-4-10-20-41(28-30-27-32(16-17-34(30)44-2)42-21-18-37-29-42)36(43)38-33-14-8-9-15-35(33)45-26-11-19-39-22-24-40(25-23-39)31-12-6-5-7-13-31/h5-9,12-18,21,27,29H,3-4,10-11,19-20,22-26,28H2,1-2H3,(H,38,43)