2-diethylaminoethyl 1-chloranyl-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: 2-diethylaminoethyl 1-chloranyl-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 2-diethylaminoethyl 1-chloro-4-phenyl-isoquinoline-3-carboxylate CAS Name: 1-chloro-4-phenyl-3-isoquinolinecarboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 1-chloro-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-chloro-4-phenyl-isoquinoline-3-carboxylic acid 2-diethylaminoethyl ester Formula: C22H23ClN2O2 MolecularWeight: 382.88322

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H23ClN2O2/c1-3-25(4-2)14-15-27-22(26)20-19(16-10-6-5-7-11-16)17-12-8-9-13-18(17)21(23)24-20/h5-13H,3-4,14-15H2,1-2H3