N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-(3-chloro-4-isobutoxy-phenyl)-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-(3-chloro-4-isobutoxy-phenyl)-1-keto-2H-isoquinoline-3-carboxamide Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2)Cl

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2)Cl

InChI

InChI=1S/C20H19ClN2O3/c1-12(2)11-26-18-8-7-14(10-16(18)21)22-20(25)17-9-13-5-3-4-6-15(13)19(24)23-17/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24)