tert-butyl 2-[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-(1H-indole-2-carbonylamino)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[[1H-indol-2-yl(oxo)methyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(1H-indole-2-carbonylamino)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[3-(1H-indole-2-carbonylamino)-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C25H27N3O4/c1-25(2,3)32-22(29)15-28-21-11-7-5-8-16(21)12-13-19(24(28)31)27-23(30)20-14-17-9-4-6-10-18(17)26-20/h4-11,14,19,26H,12-13,15H2,1-3H3,(H,27,30)