2-[[(4S)-2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]-N-methyl-ethanamide

Systemtic Name: 2-[[(4S)-2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]methylideneamino]-N-methyl-ethanamide Openeye Name: 2-[[(4S)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methyleneamino]-N-methyl-acetamide CAS Name: 2-[[(4S)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]-N-methylacetamide IUPAC Name: 2-[[(4S)-2-(4-ethoxyphenyl)-1,3-dioxo-4H-isoquinolin-4-yl]methylideneamino]-N-methylacetamide Traditional Name: 2-[[(4S)-1,3-diketo-2-p-phenetyl-4H-isoquinolin-4-yl]methyleneamino]-N-methyl-acetamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCC(=O)NC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCC(=O)NC

InChI

InChI=1S/C21H21N3O4/c1-3-28-15-10-8-14(9-11-15)24-20(26)17-7-5-4-6-16(17)18(21(24)27)12-23-13-19(25)22-2/h4-12,18H,3,13H2,1-2H3,(H,22,25)/t18-/m1/s1