N-cyclopropyl-3-[7-[3-[(3S)-3-fluoranylpyrrolidin-1-yl]propoxy]-1-oxidanylidene-isoquinolin-2-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[7-[3-[(3S)-3-fluoranylpyrrolidin-1-yl]propoxy]-1-oxidanylidene-isoquinolin-2-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[7-[3-[(3S)-3-fluoropyrrolidin-1-yl]propoxy]-1-oxo-2-isoquinolyl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[7-[3-[(3S)-3-fluoro-1-pyrrolidinyl]propoxy]-1-oxo-2-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[7-[3-[(3S)-3-fluoropyrrolidin-1-yl]propoxy]-1-oxoisoquinolin-2-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[7-[3-[(3S)-3-fluoropyrrolidino]propoxy]-1-keto-2-isoquinolyl]-4-methyl-benzamide Formula: C27H30FN3O3 MolecularWeight: 463.543803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCCN5CCC(C5)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCCN5CC[C@@H](C5)F

InChI

InChI=1S/C27H30FN3O3/c1-18-3-4-20(26(32)29-22-6-7-22)15-25(18)31-13-9-19-5-8-23(16-24(19)27(31)33)34-14-2-11-30-12-10-21(28)17-30/h3-5,8-9,13,15-16,21-22H,2,6-7,10-12,14,17H2,1H3,(H,29,32)/t21-/m0/s1