tert-butyl 7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate CAS Name: 7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC2=C(C1)C=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC2=C(C1)C=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c1-20(2,3)24-19(23)22-12-11-21-18-10-9-16(13-17(18)14-22)15-7-5-4-6-8-15/h4-10,13,21H,11-12,14H2,1-3H3