N-[[(6E)-2-azanyl-6-[3-[(2-fluoranyl-4-methyl-phenyl)-methyl-amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-1H-pyridin-3-yl]methyl]-3-morpholin-4-yl-propanamide

Systemtic Name: N-[[(6E)-2-azanyl-6-[3-[(2-fluoranyl-4-methyl-phenyl)-methyl-amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-1H-pyridin-3-yl]methyl]-3-morpholin-4-yl-propanamide Openeye Name: N-[[(6E)-2-amino-6-[3-(2-fluoro-N,4-dimethyl-anilino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-1H-pyridin-3-yl]methyl]-3-morpholino-propanamide CAS Name: N-[[(6E)-2-amino-6-[3-(2-fluoro-N,4-dimethylanilino)-6-oxo-1-cyclohexa-2,4-dienylidene]-1H-pyridin-3-yl]methyl]-3-(4-morpholinyl)propanamide IUPAC Name: N-[[(6E)-2-amino-6-[3-(2-fluoro-N,4-dimethylanilino)-6-oxocyclohexa-2,4-dien-1-ylidene]-1H-pyridin-3-yl]methyl]-3-morpholin-4-ylpropanamide Traditional Name: N-[[(6E)-2-amino-6-[3-(2-fluoro-N,4-dimethyl-anilino)-6-keto-cyclohexa-2,4-dien-1-ylidene]-1H-pyridin-3-yl]methyl]-3-morpholino-propionamide Formula: C27H32FN5O3 MolecularWeight: 493.573083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C2=CC(=C3C=CC(=C(N3)N)CNC(=O)CCN4CCOCC4)C(=O)C=C2)F

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C2=C/C(=C\3/C=CC(=C(N3)N)CNC(=O)CCN4CCOCC4)/C(=O)C=C2)F

InChI

InChI=1S/C27H32FN5O3/c1-18-3-7-24(22(28)15-18)32(2)20-5-8-25(34)21(16-20)23-6-4-19(27(29)31-23)17-30-26(35)9-10-33-11-13-36-14-12-33/h3-8,15-16,31H,9-14,17,29H2,1-2H3,(H,30,35)/b23-21+