1-chloranyl-N-(2-dimethylaminoethyl)-4-oxidanyl-6-propan-2-yloxy-isoquinoline-3-carboxamide

Systemtic Name: 1-chloranyl-N-(2-dimethylaminoethyl)-4-oxidanyl-6-propan-2-yloxy-isoquinoline-3-carboxamide Openeye Name: 1-chloro-N-(2-dimethylaminoethyl)-4-hydroxy-6-isopropoxy-isoquinoline-3-carboxamide CAS Name: 1-chloro-N-(2-dimethylaminoethyl)-4-hydroxy-6-propan-2-yloxy-3-isoquinolinecarboxamide IUPAC Name: 1-chloro-N-(2-dimethylaminoethyl)-4-hydroxy-6-propan-2-yloxyisoquinoline-3-carboxamide Traditional Name: 1-chloro-N-(2-dimethylaminoethyl)-4-hydroxy-6-isopropoxy-isoquinoline-3-carboxamide Formula: C17H22ClN3O3 MolecularWeight: 351.82788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)NCCN(C)C)Cl

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)NCCN(C)C)Cl

InChI

InChI=1S/C17H22ClN3O3/c1-10(2)24-11-5-6-12-13(9-11)15(22)14(20-16(12)18)17(23)19-7-8-21(3)4/h5-6,9-10,22H,7-8H2,1-4H3,(H,19,23)