2-[3-(dimethylamino)propyl]-1-oxidanylidene-isoquinoline-4-carboxamide hydrate

Systemtic Name: 2-[3-(dimethylamino)propyl]-1-oxidanylidene-isoquinoline-4-carboxamide hydrate Openeye Name: 2-[3-(dimethylamino)propyl]-1-oxo-isoquinoline-4-carboxamide hydrate CAS Name: 2-[3-(dimethylamino)propyl]-1-oxo-4-isoquinolinecarboxamide hydrate IUPAC Name: 2-[3-(dimethylamino)propyl]-1-oxoisoquinoline-4-carboxamide hydrate Traditional Name: 2-[3-(dimethylamino)propyl]-1-keto-isoquinoline-4-carboxamide hydrate Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C=C(C2=CC=CC=C2C1=O)C(=O)N.O

Isomeric SMILES

CN(C)CCCN1C=C(C2=CC=CC=C2C1=O)C(=O)N.O

InChI

InChI=1S/C15H19N3O2.H2O/c1-17(2)8-5-9-18-10-13(14(16)19)11-6-3-4-7-12(11)15(18)20;/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,16,19);1H2