4-[(3-bromophenyl)amino]-6,7-dipropoxy-quinoline-3-carbonitrile

Systemtic Name: 4-[(3-bromophenyl)amino]-6,7-dipropoxy-quinoline-3-carbonitrile Openeye Name: 4-(3-bromoanilino)-6,7-dipropoxy-quinoline-3-carbonitrile CAS Name: 4-(3-bromoanilino)-6,7-dipropoxy-3-quinolinecarbonitrile IUPAC Name: 4-(3-bromoanilino)-6,7-dipropoxyquinoline-3-carbonitrile Traditional Name: 4-(3-bromoanilino)-6,7-dipropoxy-quinoline-3-carbonitrile Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br)OCCC

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br)OCCC

InChI

InChI=1S/C22H22BrN3O2/c1-3-8-27-20-11-18-19(12-21(20)28-9-4-2)25-14-15(13-24)22(18)26-17-7-5-6-16(23)10-17/h5-7,10-12,14H,3-4,8-9H2,1-2H3,(H,25,26)