4-chloranyl-6-methoxy-7-[3-(3-oxidanylidenepiperazin-1-yl)propoxy]quinoline-3-carbonitrile

Systemtic Name: 4-chloranyl-6-methoxy-7-[3-(3-oxidanylidenepiperazin-1-yl)propoxy]quinoline-3-carbonitrile Openeye Name: 4-chloro-6-methoxy-7-[3-(3-oxopiperazin-1-yl)propoxy]quinoline-3-carbonitrile CAS Name: 4-chloro-6-methoxy-7-[3-(3-oxo-1-piperazinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-chloro-6-methoxy-7-[3-(3-oxopiperazin-1-yl)propoxy]quinoline-3-carbonitrile Traditional Name: 4-chloro-7-[3-(3-ketopiperazino)propoxy]-6-methoxy-quinoline-3-carbonitrile Formula: C18H19ClN4O3 MolecularWeight: 374.82146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)Cl)OCCCN3CCNC(=O)C3

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)Cl)OCCCN3CCNC(=O)C3

InChI

InChI=1S/C18H19ClN4O3/c1-25-15-7-13-14(22-10-12(9-20)18(13)19)8-16(15)26-6-2-4-23-5-3-21-17(24)11-23/h7-8,10H,2-6,11H2,1H3,(H,21,24)