N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-3,5,5-trimethyl-hexanamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-3,5,5-trimethyl-hexanamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3,5,5-trimethyl-hexanamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-3,5,5-trimethylhexanamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3,5,5-trimethylhexanamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3,5,5-trimethyl-hexanamide Formula: C29H39N3O2 MolecularWeight: 461.63886

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)N4CCCC4)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)N4CCCC4)CC(C)(C)C

InChI

InChI=1S/C29H39N3O2/c1-21(19-29(2,3)4)17-27(33)30-24-11-12-26(25(18-24)28(34)31-14-7-8-15-31)32-16-13-22-9-5-6-10-23(22)20-32/h5-6,9-12,18,21H,7-8,13-17,19-20H2,1-4H3,(H,30,33)