ethyl 2-azanyl-1-[4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-1-[4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-amino-1-[4-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[4-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-[4-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-[4-(4-phthalimidobutanoylamino)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C31H26N6O5 MolecularWeight: 562.57534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)NC(=O)CCCN5C(=O)C6=CC=CC=C6C5=O)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)NC(=O)CCCN5C(=O)C6=CC=CC=C6C5=O)N

InChI

InChI=1S/C31H26N6O5/c1-2-42-31(41)25-26-28(35-23-11-6-5-10-22(23)34-26)37(27(25)32)19-15-13-18(14-16-19)33-24(38)12-7-17-36-29(39)20-8-3-4-9-21(20)30(36)40/h3-6,8-11,13-16H,2,7,12,17,32H2,1H3,(H,33,38)