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

Systemtic Name: 4-[[2-ethoxy-4-[(pyridin-2-ylamino)methyl]cyclohexa-1,3-dien-1-yl]amino]benzenecarboximidamide Openeye Name: 4-[[2-ethoxy-4-[(2-pyridylamino)methyl]cyclohexa-1,3-dien-1-yl]amino]benzamidine CAS Name: 4-[[2-ethoxy-4-[(2-pyridinylamino)methyl]-1-cyclohexa-1,3-dienyl]amino]benzenecarboximidamide IUPAC Name: 4-[[2-ethoxy-4-[(pyridin-2-ylamino)methyl]cyclohexa-1,3-dien-1-yl]amino]benzenecarboximidamide Traditional Name: 4-[[2-ethoxy-4-[(2-pyridylamino)methyl]cyclohexa-1,3-dien-1-yl]amino]benzamidine Formula: C21H25N5O MolecularWeight: 363.4561

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O/c1-2-27-19-13-15(14-25-20-5-3-4-12-24-20)6-11-18(19)26-17-9-7-16(8-10-17)21(22)23/h3-5,7-10,12-13,26H,2,6,11,14H2,1H3,(H3,22,23)(H,24,25)