1-[1-[5-(3-chloranylphenoxy)-1,3-dimethyl-pyrazol-4-yl]carbonyl-4-phenyl-piperidin-4-yl]butan-1-one

Systemtic Name: 1-[1-[5-(3-chloranylphenoxy)-1,3-dimethyl-pyrazol-4-yl]carbonyl-4-phenyl-piperidin-4-yl]butan-1-one Openeye Name: 1-[1-[5-(3-chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbonyl]-4-phenyl-4-piperidyl]butan-1-one CAS Name: 1-[1-[[5-(3-chlorophenoxy)-1,3-dimethyl-4-pyrazolyl]-oxomethyl]-4-phenyl-4-piperidinyl]-1-butanone IUPAC Name: 1-[1-[5-(3-chlorophenoxy)-1,3-dimethylpyrazole-4-carbonyl]-4-phenylpiperidin-4-yl]butan-1-one Traditional Name: 1-[1-[5-(3-chlorophenoxy)-1,3-dimethyl-pyrazole-4-carbonyl]-4-phenyl-4-piperidyl]butan-1-one Formula: C27H30ClN3O3 MolecularWeight: 479.9984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(CCN(CC1)C(=O)C2=C(N(N=C2C)C)OC3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)C1(CCN(CC1)C(=O)C2=C(N(N=C2C)C)OC3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H30ClN3O3/c1-4-9-23(32)27(20-10-6-5-7-11-20)14-16-31(17-15-27)25(33)24-19(2)29-30(3)26(24)34-22-13-8-12-21(28)18-22/h5-8,10-13,18H,4,9,14-17H2,1-3H3