4-[[2-ethoxy-4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[2-ethoxy-4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]amino]benzenecarbonitrile Openeye Name: 4-[[2-ethoxy-4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]amino]benzonitrile CAS Name: 4-[[2-ethoxy-4-[(4-methyl-1-piperazinyl)methyl]-1-cyclohexa-1,3-dienyl]amino]benzonitrile IUPAC Name: 4-[[2-ethoxy-4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]amino]benzonitrile Traditional Name: 4-[[2-ethoxy-4-[(4-methylpiperazino)methyl]cyclohexa-1,3-dien-1-yl]amino]benzonitrile Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(CCC(=C1)CN2CCN(CC2)C)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=C(CCC(=C1)CN2CCN(CC2)C)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H28N4O/c1-3-26-21-14-18(16-25-12-10-24(2)11-13-25)6-9-20(21)23-19-7-4-17(15-22)5-8-19/h4-5,7-8,14,23H,3,6,9-13,16H2,1-2H3