6-(4-bromophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-pyran-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-pyran-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-pyran-3-carbonitrile CAS Name: 6-(4-bromophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-3-pyrancarbonitrile IUPAC Name: 6-(4-bromophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxopyran-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-pyran-3-carbonitrile Formula: C21H15BrN2O2 MolecularWeight: 407.26

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=O)OC(=C3)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=O)OC(=C3)C4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C21H15BrN2O2/c22-17-7-5-15(6-8-17)20-11-19(18(12-23)21(25)26-20)24-10-9-14-3-1-2-4-16(14)13-24/h1-8,11H,9-10,13H2