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

Systemtic Name: tert-butyl 2-[3-[1-(3-azanylpropyl)-2-methyl-indol-3-yl]-2-oxidanylidene-quinoxalin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[1-(3-aminopropyl)-2-methyl-indol-3-yl]-2-oxo-quinoxalin-1-yl]acetate CAS Name: 2-[3-[1-(3-aminopropyl)-2-methyl-3-indolyl]-2-oxo-1-quinoxalinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[1-(3-aminopropyl)-2-methylindol-3-yl]-2-oxoquinoxalin-1-yl]acetate Traditional Name: 2-[3-[1-(3-aminopropyl)-2-methyl-indol-3-yl]-2-keto-quinoxalin-1-yl]acetic acid tert-butyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CCCN)C3=NC4=CC=CC=C4N(C3=O)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CCCN)C3=NC4=CC=CC=C4N(C3=O)CC(=O)OC(C)(C)C

InChI

InChI=1S/C26H30N4O3/c1-17-23(18-10-5-7-12-20(18)29(17)15-9-14-27)24-25(32)30(16-22(31)33-26(2,3)4)21-13-8-6-11-19(21)28-24/h5-8,10-13H,9,14-16,27H2,1-4H3