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

Systemtic Name: 3-[(2-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[(8-hydroxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-[(8-hydroxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(8-hydroxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[(8-hydroxy-1-keto-2-methyl-3,4-dihydroisoquinolin-7-yl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-quinone Formula: C23H23N3O4 MolecularWeight: 405.44642

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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(CCN(C4=O)C)C=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4/c1-3-15(13-7-5-4-6-8-13)24-18-19(22(29)21(18)28)25-16-10-9-14-11-12-26(2)23(30)17(14)20(16)27/h4-10,15,24-25,27H,3,11-12H2,1-2H3/t15-/m1/s1