1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one

Systemtic Name: 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one Openeye Name: 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one CAS Name: 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(2,5,7-trimethyl-6-pyrazolo[1,5-a]pyrimidinyl)-1-propanone IUPAC Name: 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one Traditional Name: 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C(C(=NC2=C1)C)CCC(=O)N3CCC4CCCCC4C3)C

Isomeric SMILES

CC1=NN2C(=C(C(=NC2=C1)C)CCC(=O)N3CC[C@H]4CCCC[C@@H]4C3)C

InChI

InChI=1S/C21H30N4O/c1-14-12-20-22-15(2)19(16(3)25(20)23-14)8-9-21(26)24-11-10-17-6-4-5-7-18(17)13-24/h12,17-18H,4-11,13H2,1-3H3/t17-,18-/m1/s1