4-[(3-bromophenyl)methylamino]-6,7-diethoxy-quinoline-3-carbonitrile

Systemtic Name: 4-[(3-bromophenyl)methylamino]-6,7-diethoxy-quinoline-3-carbonitrile Openeye Name: 4-[(3-bromophenyl)methylamino]-6,7-diethoxy-quinoline-3-carbonitrile CAS Name: 4-[(3-bromophenyl)methylamino]-6,7-diethoxy-3-quinolinecarbonitrile IUPAC Name: 4-[(3-bromophenyl)methylamino]-6,7-diethoxyquinoline-3-carbonitrile Traditional Name: 4-[(3-bromobenzyl)amino]-6,7-diethoxy-quinoline-3-carbonitrile Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NCC3=CC(=CC=C3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NCC3=CC(=CC=C3)Br)OCC

InChI

InChI=1S/C21H20BrN3O2/c1-3-26-19-9-17-18(10-20(19)27-4-2)24-13-15(11-23)21(17)25-12-14-6-5-7-16(22)8-14/h5-10,13H,3-4,12H2,1-2H3,(H,24,25)