tert-butyl 2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]benzoate

Systemtic Name: tert-butyl 2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]benzoate Openeye Name: tert-butyl 2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)vinyl]benzoate CAS Name: 2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]benzoate Traditional Name: 2-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)vinyl]benzoic acid tert-butyl ester Formula: C23H26N2O2 MolecularWeight: 362.46474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C=CC2=NCCN(C3=CC=CC=C32)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1/C=C/C2=NCCN(C3=CC=CC=C32)C

InChI

InChI=1S/C23H26N2O2/c1-23(2,3)27-22(26)18-10-6-5-9-17(18)13-14-20-19-11-7-8-12-21(19)25(4)16-15-24-20/h5-14H,15-16H2,1-4H3/b14-13+