6-(3-azanylpyrrolidin-1-yl)-5-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-(3-azanylpyrrolidin-1-yl)-5-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(3-aminopyrrolidin-1-yl)-2-hydroxy-5-methoxy-benzo[de]isoquinoline-1,3-dione CAS Name: 6-(3-amino-1-pyrrolidinyl)-2-hydroxy-5-methoxybenzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(3-aminopyrrolidin-1-yl)-2-hydroxy-5-methoxybenzo[de]isoquinoline-1,3-dione Traditional Name: 6-(3-aminopyrrolidino)-2-hydroxy-5-methoxy-benzo[de]isoquinoline-1,3-quinone Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C3C(=CC=C2)C(=O)N(C(=O)C3=C1)O)N4CCC(C4)N

Isomeric SMILES

COC1=C(C2=C3C(=CC=C2)C(=O)N(C(=O)C3=C1)O)N4CCC(C4)N

InChI

InChI=1S/C17H17N3O4/c1-24-13-7-12-14-10(15(13)19-6-5-9(18)8-19)3-2-4-11(14)16(21)20(23)17(12)22/h2-4,7,9,23H,5-6,8,18H2,1H3