tert-butyl N-[3-[(E)-3-azanyl-3-oxidanylidene-2-phenyl-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate

Systemtic Name: tert-butyl N-[3-[(E)-3-azanyl-3-oxidanylidene-2-phenyl-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate Openeye Name: tert-butyl N-[3-[(E)-3-amino-3-oxo-2-phenyl-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate CAS Name: N-[3-[(E)-3-amino-3-oxo-2-phenylprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(E)-3-amino-3-oxo-2-phenylprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate Traditional Name: N-[3-[(E)-3-amino-3-keto-2-phenyl-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamic acid tert-butyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CN=C2C(=C1)C(=CN2)C=C(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CN=C2C(=C1)C(=CN2)/C=C(\C3=CC=CC=C3)/C(=O)N

InChI

InChI=1S/C21H22N4O3/c1-21(2,3)28-20(27)25-15-10-17-14(11-23-19(17)24-12-15)9-16(18(22)26)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,22,26)(H,23,24)(H,25,27)/b16-9+