(5-azanyl-1-phenyl-pyrazol-4-yl)-[3-methyl-5-[(2R)-2-methyl-3-oxidanyl-propoxy]cyclohexyl]methanone

Systemtic Name: (5-azanyl-1-phenyl-pyrazol-4-yl)-[3-methyl-5-[(2R)-2-methyl-3-oxidanyl-propoxy]cyclohexyl]methanone Openeye Name: (5-amino-1-phenyl-pyrazol-4-yl)-[3-[(2R)-3-hydroxy-2-methyl-propoxy]-5-methyl-cyclohexyl]methanone CAS Name: (5-amino-1-phenyl-4-pyrazolyl)-[3-[(2R)-3-hydroxy-2-methylpropoxy]-5-methylcyclohexyl]methanone IUPAC Name: (5-amino-1-phenylpyrazol-4-yl)-[3-[(2R)-3-hydroxy-2-methylpropoxy]-5-methylcyclohexyl]methanone Traditional Name: (5-amino-1-phenyl-pyrazol-4-yl)-[3-[(2R)-3-hydroxy-2-methyl-propoxy]-5-methyl-cyclohexyl]methanone Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)OCC(C)CO)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N

Isomeric SMILES

CC1CC(CC(C1)OC[C@H](C)CO)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C21H29N3O3/c1-14-8-16(10-18(9-14)27-13-15(2)12-25)20(26)19-11-23-24(21(19)22)17-6-4-3-5-7-17/h3-7,11,14-16,18,25H,8-10,12-13,22H2,1-2H3/t14?,15-,16?,18?/m1/s1