6-chloranyl-7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-methyl-amino]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-methyl-amino]-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-methyl-amino]-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methylamino]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methylamino]-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-methyl-amino]-4H-1,4-benzoxazin-3-one Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCC2=CC=CC=C2C1)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

CN(CC(=O)N1CCC2=CC=CC=C2C1)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C20H20ClN3O3/c1-23(17-9-18-16(8-15(17)21)22-19(25)12-27-18)11-20(26)24-7-6-13-4-2-3-5-14(13)10-24/h2-5,8-9H,6-7,10-12H2,1H3,(H,22,25)