5-azanyl-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; pyridine-3-carboxamide

Systemtic Name: 5-azanyl-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; pyridine-3-carboxamide Openeye Name: 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; pyridine-3-carboxamide CAS Name: 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; 3-pyridinecarboxamide IUPAC Name: 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; pyridine-3-carboxamide Traditional Name: 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-quinone; nicotinamide Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N.C1=CC(=CN=C1)C(=O)N

Isomeric SMILES

CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N.C1=CC(=CN=C1)C(=O)N

InChI

InChI=1S/C16H17N3O2.C6H6N2O/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21;7-6(9)5-2-1-3-8-4-5/h3-5,8-9H,6-7,17H2,1-2H3;1-4H,(H2,7,9)