tert-butyl (2Z)-2-(2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)ethanoate

Systemtic Name: tert-butyl (2Z)-2-(2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)ethanoate Openeye Name: tert-butyl (2Z)-2-(2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)acetate CAS Name: (2Z)-2-(2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)acetic acid tert-butyl ester IUPAC Name: tert-butyl (2Z)-2-(2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)acetate Traditional Name: (2Z)-2-(2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)acetic acid tert-butyl ester Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=C1CC(NC2=CC=CC=C2N1)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)/C=C\1/CC(NC2=CC=CC=C2N1)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O2/c1-21(2,3)25-20(24)14-16-13-19(15-9-5-4-6-10-15)23-18-12-8-7-11-17(18)22-16/h4-12,14,19,22-23H,13H2,1-3H3/b16-14-