2-[4-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(3-chloro-4-ethoxy-5-methoxy-benzoyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(3-chloro-4-ethoxy-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(3-chloro-4-ethoxy-5-methoxy-benzoyl)piperazino]isonicotinonitrile Formula: C20H21ClN4O3 MolecularWeight: 400.85874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N)OC

InChI

InChI=1S/C20H21ClN4O3/c1-3-28-19-16(21)11-15(12-17(19)27-2)20(26)25-8-6-24(7-9-25)18-10-14(13-22)4-5-23-18/h4-5,10-12H,3,6-9H2,1-2H3