6-[2-oxidanylidene-2-[3-[(3-oxidanylpyrrolidin-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-oxidanylidene-2-[3-[(3-oxidanylpyrrolidin-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[3-[(3-hydroxypyrrolidin-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[3-[(3-hydroxy-1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[3-[(3-hydroxypyrrolidin-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[3-[(3-hydroxypyrrolidino)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]-4H-1,4-benzoxazin-3-one Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)CC2CC3=CC=CC=C3CN2C(=O)CC4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

C1CN(CC1O)CC2CC3=CC=CC=C3CN2C(=O)CC4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C24H27N3O4/c28-20-7-8-26(14-20)13-19-11-17-3-1-2-4-18(17)12-27(19)24(30)10-16-5-6-22-21(9-16)25-23(29)15-31-22/h1-6,9,19-20,28H,7-8,10-15H2,(H,25,29)