3-bromanyl-4-ethoxy-5-[[3-[(4-oxidanylidene-1H-quinolin-2-yl)amino]propylamino]methyl]benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-ethoxy-5-[[3-[(4-oxidanylidene-1H-quinolin-2-yl)amino]propylamino]methyl]benzenecarbonitrile Openeye Name: 3-bromo-4-ethoxy-5-[[3-[(4-oxo-1H-quinolin-2-yl)amino]propylamino]methyl]benzonitrile CAS Name: 3-bromo-4-ethoxy-5-[[3-[(4-oxo-1H-quinolin-2-yl)amino]propylamino]methyl]benzonitrile IUPAC Name: 3-bromo-4-ethoxy-5-[[3-[(4-oxo-1H-quinolin-2-yl)amino]propylamino]methyl]benzonitrile Traditional Name: 3-bromo-4-ethoxy-5-[[3-[(4-keto-1H-quinolin-2-yl)amino]propylamino]methyl]benzonitrile Formula: C22H23BrN4O2 MolecularWeight: 455.34762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C#N)CNCCCNC2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C#N)CNCCCNC2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H23BrN4O2/c1-2-29-22-16(10-15(13-24)11-18(22)23)14-25-8-5-9-26-21-12-20(28)17-6-3-4-7-19(17)27-21/h3-4,6-7,10-12,25H,2,5,8-9,14H2,1H3,(H2,26,27,28)