1-[3-ethyl-5-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]-3-[[(1S,2R)-2-[3-(4-fluorophenyl)propylamino]cyclohexyl]methyl]urea

Systemtic Name: 1-[3-ethyl-5-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]-3-[[(1S,2R)-2-[3-(4-fluorophenyl)propylamino]cyclohexyl]methyl]urea Openeye Name: 1-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[[(1S,2R)-2-[3-(4-fluorophenyl)propylamino]cyclohexyl]methyl]urea CAS Name: 1-[3-ethyl-5-(1-methyl-5-tetrazolyl)phenyl]-3-[[(1S,2R)-2-[3-(4-fluorophenyl)propylamino]cyclohexyl]methyl]urea IUPAC Name: 1-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[[(1S,2R)-2-[3-(4-fluorophenyl)propylamino]cyclohexyl]methyl]urea Traditional Name: 1-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[[(1S,2R)-2-[3-(4-fluorophenyl)propylamino]cyclohexyl]methyl]urea Formula: C27H36FN7O MolecularWeight: 493.619443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C2=NN=NN2C)NC(=O)NCC3CCCCC3NCCCC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC(=CC(=C1)C2=NN=NN2C)NC(=O)NC[C@@H]3CCCC[C@H]3NCCCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H36FN7O/c1-3-19-15-22(26-32-33-34-35(26)2)17-24(16-19)31-27(36)30-18-21-8-4-5-9-25(21)29-14-6-7-20-10-12-23(28)13-11-20/h10-13,15-17,21,25,29H,3-9,14,18H2,1-2H3,(H2,30,31,36)/t21-,25+/m0/s1