1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-phenyl-ethyl]piperidin-1-yl]-3-thiophen-2-yl-propan-1-one

Systemtic Name: 1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-phenyl-ethyl]piperidin-1-yl]-3-thiophen-2-yl-propan-1-one Openeye Name: 1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-phenyl-ethyl]-1-piperidyl]-3-(2-thienyl)propan-1-one CAS Name: 1-[4-[1-[(1,3-dimethyl-4-pyrazolyl)methyl-methylamino]-2-phenylethyl]-1-piperidinyl]-3-thiophen-2-yl-1-propanone IUPAC Name: 1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-2-phenylethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one Traditional Name: 1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2-phenyl-ethyl]piperidino]-3-(2-thienyl)propan-1-one Formula: C27H36N4OS MolecularWeight: 464.66594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN(C)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)CCC4=CC=CS4)C

Isomeric SMILES

CC1=NN(C=C1CN(C)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)CCC4=CC=CS4)C

InChI

InChI=1S/C27H36N4OS/c1-21-24(20-30(3)28-21)19-29(2)26(18-22-8-5-4-6-9-22)23-13-15-31(16-14-23)27(32)12-11-25-10-7-17-33-25/h4-10,17,20,23,26H,11-16,18-19H2,1-3H3