4-[(3-bromophenyl)amino]-6,7-bis(2-methoxyethoxy)quinoline-3-carbonitrile

Systemtic Name: 4-[(3-bromophenyl)amino]-6,7-bis(2-methoxyethoxy)quinoline-3-carbonitrile Openeye Name: 4-(3-bromoanilino)-6,7-bis(2-methoxyethoxy)quinoline-3-carbonitrile CAS Name: 4-(3-bromoanilino)-6,7-bis(2-methoxyethoxy)-3-quinolinecarbonitrile IUPAC Name: 4-(3-bromoanilino)-6,7-bis(2-methoxyethoxy)quinoline-3-carbonitrile Traditional Name: 4-(3-bromoanilino)-6,7-bis(2-methoxyethoxy)quinoline-3-carbonitrile Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br)OCCOC

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br)OCCOC

InChI

InChI=1S/C22H22BrN3O4/c1-27-6-8-29-20-11-18-19(12-21(20)30-9-7-28-2)25-14-15(13-24)22(18)26-17-5-3-4-16(23)10-17/h3-5,10-12,14H,6-9H2,1-2H3,(H,25,26)