2-[(3S)-1-methylpyrrolidin-3-yl]-6-(4-pyrrolidin-1-ylcarbonylphenyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[(3S)-1-methylpyrrolidin-3-yl]-6-(4-pyrrolidin-1-ylcarbonylphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[(3S)-1-methylpyrrolidin-3-yl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[(3S)-1-methyl-3-pyrrolidinyl]-6-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[(3S)-1-methylpyrrolidin-3-yl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[(3S)-1-methylpyrrolidin-3-yl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisocarbostyril Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)N2CCC3=C(C2=O)C=CC(=C3)C4=CC=C(C=C4)C(=O)N5CCCC5

Isomeric SMILES

CN1CC[C@@H](C1)N2CCC3=C(C2=O)C=CC(=C3)C4=CC=C(C=C4)C(=O)N5CCCC5

InChI

InChI=1S/C25H29N3O2/c1-26-14-11-22(17-26)28-15-10-21-16-20(8-9-23(21)25(28)30)18-4-6-19(7-5-18)24(29)27-12-2-3-13-27/h4-9,16,22H,2-3,10-15,17H2,1H3/t22-/m0/s1