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

Systemtic Name: 4-[[2-ethoxy-4-[(pyridin-2-ylamino)methyl]cyclohexa-1,3-dien-1-yl]amino]benzenecarbonitrile Openeye Name: 4-[[2-ethoxy-4-[(2-pyridylamino)methyl]cyclohexa-1,3-dien-1-yl]amino]benzonitrile CAS Name: 4-[[2-ethoxy-4-[(2-pyridinylamino)methyl]-1-cyclohexa-1,3-dienyl]amino]benzonitrile IUPAC Name: 4-[[2-ethoxy-4-[(pyridin-2-ylamino)methyl]cyclohexa-1,3-dien-1-yl]amino]benzonitrile Traditional Name: 4-[[2-ethoxy-4-[(2-pyridylamino)methyl]cyclohexa-1,3-dien-1-yl]amino]benzonitrile Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(CCC(=C1)CNC2=CC=CC=N2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=C(CCC(=C1)CNC2=CC=CC=N2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N4O/c1-2-26-20-13-17(15-24-21-5-3-4-12-23-21)8-11-19(20)25-18-9-6-16(14-22)7-10-18/h3-7,9-10,12-13,25H,2,8,11,15H2,1H3,(H,23,24)