N-butyl-2-[3-(dimethylamino)propyl]-1-oxidanylidene-isoquinoline-4-carboxamide; ethanedioic acid

Systemtic Name: N-butyl-2-[3-(dimethylamino)propyl]-1-oxidanylidene-isoquinoline-4-carboxamide; ethanedioic acid Openeye Name: N-butyl-2-[3-(dimethylamino)propyl]-1-oxo-isoquinoline-4-carboxamide; oxalic acid CAS Name: N-butyl-2-[3-(dimethylamino)propyl]-1-oxo-4-isoquinolinecarboxamide; oxalic acid IUPAC Name: N-butyl-2-[3-(dimethylamino)propyl]-1-oxoisoquinoline-4-carboxamide; oxalic acid Traditional Name: N-butyl-2-[3-(dimethylamino)propyl]-1-keto-isoquinoline-4-carboxamide; oxalic acid Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)CCCN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)CCCN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27N3O2.C2H2O4/c1-4-5-11-20-18(23)17-14-22(13-8-12-21(2)3)19(24)16-10-7-6-9-15(16)17;3-1(4)2(5)6/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3,(H,20,23);(H,3,4)(H,5,6)