1-(2-diethylaminoethylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-diethylaminoethylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(2-diethylaminoethylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(2-diethylaminoethylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2-diethylaminoethylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(2-diethylaminoethylamino)isoquinoline-3-carboxylic acid Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCN(CC)CCNC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C16H21N3O2/c1-3-19(4-2)10-9-17-15-13-8-6-5-7-12(13)11-14(18-15)16(20)21/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18)(H,20,21)