N-(3-azanylpropyl)-3-fluoranyl-4-methyl-N-[2-methyl-1-[7-oxidanyl-4-oxidanylidene-3-(phenylmethyl)chromen-2-yl]propyl]benzamide

Systemtic Name: N-(3-azanylpropyl)-3-fluoranyl-4-methyl-N-[2-methyl-1-[7-oxidanyl-4-oxidanylidene-3-(phenylmethyl)chromen-2-yl]propyl]benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-hydroxy-4-oxo-chromen-2-yl)-2-methyl-propyl]-3-fluoro-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-3-fluoro-N-[1-[7-hydroxy-4-oxo-3-(phenylmethyl)-1-benzopyran-2-yl]-2-methylpropyl]-4-methylbenzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-hydroxy-4-oxochromen-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-hydroxy-4-keto-chromen-2-yl)-2-methyl-propyl]-3-fluoro-4-methyl-benzamide Formula: C31H33FN2O4 MolecularWeight: 516.603123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCCN)C(C2=C(C(=O)C3=C(O2)C=C(C=C3)O)CC4=CC=CC=C4)C(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCCN)C(C2=C(C(=O)C3=C(O2)C=C(C=C3)O)CC4=CC=CC=C4)C(C)C)F

InChI

InChI=1S/C31H33FN2O4/c1-19(2)28(34(15-7-14-33)31(37)22-11-10-20(3)26(32)17-22)30-25(16-21-8-5-4-6-9-21)29(36)24-13-12-23(35)18-27(24)38-30/h4-6,8-13,17-19,28,35H,7,14-16,33H2,1-3H3