N-ethyl-3-fluoranyl-4-[1-oxidanylidene-2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-3,4-dihydroisoquinolin-6-yl]benzamide

Systemtic Name: N-ethyl-3-fluoranyl-4-[1-oxidanylidene-2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-3,4-dihydroisoquinolin-6-yl]benzamide Openeye Name: N-ethyl-3-fluoro-4-[2-[(3S)-1-isopropylpyrrolidin-3-yl]-1-oxo-3,4-dihydroisoquinolin-6-yl]benzamide CAS Name: N-ethyl-3-fluoro-4-[1-oxo-2-[(3S)-1-propan-2-yl-3-pyrrolidinyl]-3,4-dihydroisoquinolin-6-yl]benzamide IUPAC Name: N-ethyl-3-fluoro-4-[1-oxo-2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-3,4-dihydroisoquinolin-6-yl]benzamide Traditional Name: N-ethyl-3-fluoro-4-[2-[(3S)-1-isopropylpyrrolidin-3-yl]-1-keto-3,4-dihydroisoquinolin-6-yl]benzamide Formula: C25H30FN3O2 MolecularWeight: 423.523003

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(C=C1)C2=CC3=C(C=C2)C(=O)N(CC3)C4CCN(C4)C(C)C)F

Isomeric SMILES

CCNC(=O)C1=CC(=C(C=C1)C2=CC3=C(C=C2)C(=O)N(CC3)[C@H]4CCN(C4)C(C)C)F

InChI

InChI=1S/C25H30FN3O2/c1-4-27-24(30)19-6-7-21(23(26)14-19)17-5-8-22-18(13-17)9-12-29(25(22)31)20-10-11-28(15-20)16(2)3/h5-8,13-14,16,20H,4,9-12,15H2,1-3H3,(H,27,30)/t20-/m0/s1