tert-butyl 5-(3-methanoyl-1-phenyl-indol-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: tert-butyl 5-(3-methanoyl-1-phenyl-indol-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: tert-butyl 5-(3-formyl-1-phenyl-indol-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate CAS Name: 5-(3-formyl-1-phenyl-2-indolyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(3-formyl-1-phenylindol-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: 5-(3-formyl-1-phenyl-indol-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC1CN2C3=C(C4=CC=CC=C4N3C5=CC=CC=C5)C=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CC1CN2C3=C(C4=CC=CC=C4N3C5=CC=CC=C5)C=O

InChI

InChI=1S/C25H27N3O3/c1-25(2,3)31-24(30)27-15-18-13-19(27)14-26(18)23-21(16-29)20-11-7-8-12-22(20)28(23)17-9-5-4-6-10-17/h4-12,16,18-19H,13-15H2,1-3H3