tert-butyl 8-azanyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 8-azanyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 8-amino-3-benzyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate CAS Name: 8-amino-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-amino-3-benzyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 8-amino-3-benzyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(C=C(C=C2)N)NCC1CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C=C(C=C2)N)NCC1CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-21(2,3)26-20(25)24-14-16-9-10-17(22)12-19(16)23-13-18(24)11-15-7-5-4-6-8-15/h4-10,12,18,23H,11,13-14,22H2,1-3H3