3-methoxy-4-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]benzonitrile CAS Name: 3-methoxy-4-[4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butoxy]benzonitrile IUPAC Name: 3-methoxy-4-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]benzonitrile Traditional Name: 4-[4-keto-4-[4-(2-pyrimidyl)piperazino]butoxy]-3-methoxy-benzonitrile Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H23N5O3/c1-27-18-14-16(15-21)5-6-17(18)28-13-2-4-19(26)24-9-11-25(12-10-24)20-22-7-3-8-23-20/h3,5-8,14H,2,4,9-13H2,1H3