7-azanyl-3-[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonyl-4-(trifluoromethyl)chromen-2-one

Systemtic Name: 7-azanyl-3-[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonyl-4-(trifluoromethyl)chromen-2-one Openeye Name: 7-amino-3-[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]-4-(trifluoromethyl)chromen-2-one CAS Name: 7-amino-3-[[1-(2-amino-1-oxopropyl)-2-pyrrolidinyl]-oxomethyl]-4-(trifluoromethyl)-1-benzopyran-2-one IUPAC Name: 7-amino-3-[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]-4-(trifluoromethyl)chromen-2-one Traditional Name: 3-(1-alanylprolyl)-7-amino-4-(trifluoromethyl)coumarin Formula: C18H18F3N3O4 MolecularWeight: 397.34843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)C2=C(C3=C(C=C(C=C3)N)OC2=O)C(F)(F)F)N

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)C2=C(C3=C(C=C(C=C3)N)OC2=O)C(F)(F)F)N

InChI

InChI=1S/C18H18F3N3O4/c1-8(22)16(26)24-6-2-3-11(24)15(25)13-14(18(19,20)21)10-5-4-9(23)7-12(10)28-17(13)27/h4-5,7-8,11H,2-3,6,22-23H2,1H3