3-(2,5-ditert-butylphenyl)-1-[3-[(1R,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea

Systemtic Name: 3-(2,5-ditert-butylphenyl)-1-[3-[(1R,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea Openeye Name: 3-(2,5-ditert-butylphenyl)-1-[3-[(1R,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea CAS Name: 3-(2,5-ditert-butylphenyl)-1-[3-[(1R,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenylurea IUPAC Name: 3-(2,5-ditert-butylphenyl)-1-[3-[(1R,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenylurea Traditional Name: 3-(2,5-ditert-butylphenyl)-1-[3-[(1R,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea Formula: C37H54N6O MolecularWeight: 598.86426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC3CCC(C2)N3CCCN(C4=CC=CC=C4)C(=O)NC5=C(C=CC(=C5)C(C)(C)C)C(C)(C)C)C(C)C

Isomeric SMILES

CC1=NN=C(N1C2C[C@H]3CC[C@H](C2)N3CCCN(C4=CC=CC=C4)C(=O)NC5=C(C=CC(=C5)C(C)(C)C)C(C)(C)C)C(C)C

InChI

InChI=1S/C37H54N6O/c1-25(2)34-40-39-26(3)43(34)31-23-29-17-18-30(24-31)41(29)20-13-21-42(28-14-11-10-12-15-28)35(44)38-33-22-27(36(4,5)6)16-19-32(33)37(7,8)9/h10-12,14-16,19,22,25,29-31H,13,17-18,20-21,23-24H2,1-9H3,(H,38,44)/t29-,30-/m1/s1