ethyl (1S,3Z)-7-bromanyl-3-(phenylmethylidene)-2,9-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate

Systemtic Name: ethyl (1S,3Z)-7-bromanyl-3-(phenylmethylidene)-2,9-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate Openeye Name: ethyl (1S,3Z)-3-benzylidene-7-bromo-2,9-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate CAS Name: (1S,3Z)-7-bromo-3-(phenylmethylene)-2,9-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,3Z)-3-benzylidene-7-bromo-2,9-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate Traditional Name: (1S,3Z)-3-benzal-7-bromo-2,9-dihydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylic acid ethyl ester Formula: C21H19BrN2O2 MolecularWeight: 411.29176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(=CC2=CC=CC=C2)C3=NC4=C(CN13)C=C(C=C4)Br

Isomeric SMILES

CCOC(=O)[C@@H]1C/C(=C/C2=CC=CC=C2)/C3=NC4=C(CN13)C=C(C=C4)Br

InChI

InChI=1S/C21H19BrN2O2/c1-2-26-21(25)19-12-15(10-14-6-4-3-5-7-14)20-23-18-9-8-17(22)11-16(18)13-24(19)20/h3-11,19H,2,12-13H2,1H3/b15-10-/t19-/m0/s1