4-[3-(aminomethyl)pyrrolidin-1-yl]-6-cyclopropyl-5-methoxy-9-oxidanylidene-3H-imidazo[4,5-f]quinoline-8-carboxylic acid

Systemtic Name: 4-[3-(aminomethyl)pyrrolidin-1-yl]-6-cyclopropyl-5-methoxy-9-oxidanylidene-3H-imidazo[4,5-f]quinoline-8-carboxylic acid Openeye Name: 4-[3-(aminomethyl)pyrrolidin-1-yl]-6-cyclopropyl-5-methoxy-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid CAS Name: 4-[3-(aminomethyl)-1-pyrrolidinyl]-6-cyclopropyl-5-methoxy-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid IUPAC Name: 4-[3-(aminomethyl)pyrrolidin-1-yl]-6-cyclopropyl-5-methoxy-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid Traditional Name: 4-[3-(aminomethyl)pyrrolidino]-6-cyclopropyl-9-keto-5-methoxy-3H-imidazo[4,5-f]quinoline-8-carboxylic acid Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C3C(=C1N4CCC(C4)CN)NC=N3)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

COC1=C2C(=C3C(=C1N4CCC(C4)CN)NC=N3)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C20H23N5O4/c1-29-19-16-13(18(26)12(20(27)28)8-25(16)11-2-3-11)14-15(23-9-22-14)17(19)24-5-4-10(6-21)7-24/h8-11H,2-7,21H2,1H3,(H,22,23)(H,27,28)