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

Systemtic Name: 4-[(3-bromophenyl)amino]-6,7-bis(methoxymethyl)quinoline-3-carbonitrile Openeye Name: 4-(3-bromoanilino)-6,7-bis(methoxymethyl)quinoline-3-carbonitrile CAS Name: 4-(3-bromoanilino)-6,7-bis(methoxymethyl)-3-quinolinecarbonitrile IUPAC Name: 4-(3-bromoanilino)-6,7-bis(methoxymethyl)quinoline-3-carbonitrile Traditional Name: 4-(3-bromoanilino)-6,7-bis(methoxymethyl)quinoline-3-carbonitrile Formula: C20H18BrN3O2 MolecularWeight: 412.27982

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br)COC

Isomeric SMILES

COCC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br)COC

InChI

InChI=1S/C20H18BrN3O2/c1-25-11-13-6-18-19(7-14(13)12-26-2)23-10-15(9-22)20(18)24-17-5-3-4-16(21)8-17/h3-8,10H,11-12H2,1-2H3,(H,23,24)