N-cyclopropyl-4-methyl-3-[1-oxidanylidene-7-[2-[(3R)-3-oxidanylpyrrolidin-1-yl]ethoxy]isoquinolin-2-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[1-oxidanylidene-7-[2-[(3R)-3-oxidanylpyrrolidin-1-yl]ethoxy]isoquinolin-2-yl]benzamide Openeye Name: N-cyclopropyl-3-[7-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-1-oxo-2-isoquinolyl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[7-[2-[(3R)-3-hydroxy-1-pyrrolidinyl]ethoxy]-1-oxo-2-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[7-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-1-oxoisoquinolin-2-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[7-[2-[(3R)-3-hydroxypyrrolidino]ethoxy]-1-keto-2-isoquinolyl]-4-methyl-benzamide Formula: C26H29N3O4 MolecularWeight: 447.52616

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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)OCCN5CCC(C5)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCN5CC[C@H](C5)O

InChI

InChI=1S/C26H29N3O4/c1-17-2-3-19(25(31)27-20-5-6-20)14-24(17)29-11-8-18-4-7-22(15-23(18)26(29)32)33-13-12-28-10-9-21(30)16-28/h2-4,7-8,11,14-15,20-21,30H,5-6,9-10,12-13,16H2,1H3,(H,27,31)/t21-/m1/s1