tert-butyl 2-[3-[1-(3-azanylpropyl)-2-ethyl-indol-3-yl]-6-methyl-2-oxidanylidene-quinoxalin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[1-(3-azanylpropyl)-2-ethyl-indol-3-yl]-6-methyl-2-oxidanylidene-quinoxalin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[1-(3-aminopropyl)-2-ethyl-indol-3-yl]-6-methyl-2-oxo-quinoxalin-1-yl]acetate CAS Name: 2-[3-[1-(3-aminopropyl)-2-ethyl-3-indolyl]-6-methyl-2-oxo-1-quinoxalinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6-methyl-2-oxoquinoxalin-1-yl]acetate Traditional Name: 2-[3-[1-(3-aminopropyl)-2-ethyl-indol-3-yl]-2-keto-6-methyl-quinoxalin-1-yl]acetic acid tert-butyl ester Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2N1CCCN)C3=NC4=C(C=CC(=C4)C)N(C3=O)CC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(C2=CC=CC=C2N1CCCN)C3=NC4=C(C=CC(=C4)C)N(C3=O)CC(=O)OC(C)(C)C

InChI

InChI=1S/C28H34N4O3/c1-6-21-25(19-10-7-8-11-22(19)31(21)15-9-14-29)26-27(34)32(17-24(33)35-28(3,4)5)23-13-12-18(2)16-20(23)30-26/h7-8,10-13,16H,6,9,14-15,17,29H2,1-5H3