4-[(3-bromophenyl)amino]-6-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carbonitrile

Systemtic Name: 4-[(3-bromophenyl)amino]-6-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carbonitrile Openeye Name: 4-(3-bromoanilino)-6-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carbonitrile CAS Name: 4-(3-bromoanilino)-6-[3-(1-pyrrolidinyl)propylamino]-3-quinolinecarbonitrile IUPAC Name: 4-(3-bromoanilino)-6-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carbonitrile Traditional Name: 4-(3-bromoanilino)-6-(3-pyrrolidinopropylamino)quinoline-3-carbonitrile Formula: C23H24BrN5 MolecularWeight: 450.37416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(C1)CCCNC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H24BrN5/c24-18-5-3-6-20(13-18)28-23-17(15-25)16-27-22-8-7-19(14-21(22)23)26-9-4-12-29-10-1-2-11-29/h3,5-8,13-14,16,26H,1-2,4,9-12H2,(H,27,28)