4-(4-chloranyl-2-methyl-phenoxy)-1-[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-1-[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Openeye Name: 4-(4-chloro-2-methyl-phenoxy)-1-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one CAS Name: 4-(4-chloro-2-methylphenoxy)-1-[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-butanone IUPAC Name: 4-(4-chloro-2-methylphenoxy)-1-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Traditional Name: 4-(4-chloro-2-methyl-phenoxy)-1-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Formula: C25H29ClN2O3 MolecularWeight: 440.96236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N4CCCC4

InChI

InChI=1S/C25H29ClN2O3/c1-18-15-21(26)10-11-23(18)31-14-6-9-24(29)28-17-20-8-3-2-7-19(20)16-22(28)25(30)27-12-4-5-13-27/h2-3,7-8,10-11,15,22H,4-6,9,12-14,16-17H2,1H3/t22-/m0/s1