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

Systemtic Name: tert-butyl 2-[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-5-phenyl-3H-1-benzazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-(1H-indole-2-carbonylamino)-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[[1H-indol-2-yl(oxo)methyl]amino]-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(1H-indole-2-carbonylamino)-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[3-(1H-indole-2-carbonylamino)-2-keto-5-phenyl-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester Formula: C31H29N3O4 MolecularWeight: 507.57966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2C(=CC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2C(=CC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5

InChI

InChI=1S/C31H29N3O4/c1-31(2,3)38-28(35)19-34-27-16-10-8-14-22(27)23(20-11-5-4-6-12-20)18-26(30(34)37)33-29(36)25-17-21-13-7-9-15-24(21)32-25/h4-18,26,32H,19H2,1-3H3,(H,33,36)