3-[(8-oxidanyl-1-oxidanylidene-3,4-dihydro-2H-isoquinolin-7-yl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(8-oxidanyl-1-oxidanylidene-3,4-dihydro-2H-isoquinolin-7-yl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[(8-hydroxy-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-[(8-hydroxy-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(8-hydroxy-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[(8-hydroxy-1-keto-3,4-dihydro-2H-isoquinolin-7-yl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-quinone Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC2=C(C(=O)C2=O)NC3=C(C4=C(CCNC4=O)C=C3)O

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)NC2=C(C(=O)C2=O)NC3=C(C4=C(CCNC4=O)C=C3)O

InChI

InChI=1S/C22H21N3O4/c1-2-14(12-6-4-3-5-7-12)24-17-18(21(28)20(17)27)25-15-9-8-13-10-11-23-22(29)16(13)19(15)26/h3-9,14,24-26H,2,10-11H2,1H3,(H,23,29)/t14-/m1/s1