2-azanyl-N-[2-[[1-[[3-(diaminocarbonylamino)-4-methyl-phenyl]methyl]pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]-5-(trifluoromethyl)benzamide

Systemtic Name: 2-azanyl-N-[2-[[1-[[3-(diaminocarbonylamino)-4-methyl-phenyl]methyl]pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]-5-(trifluoromethyl)benzamide Openeye Name: 2-amino-N-[2-[[1-[[3-(dicarbamoylamino)-4-methyl-phenyl]methyl]pyrrolidin-3-yl]amino]-2-oxo-ethyl]-5-(trifluoromethyl)benzamide CAS Name: 2-amino-N-[2-[[1-[[3-(dicarbamoylamino)-4-methylphenyl]methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide IUPAC Name: 2-amino-N-[2-[[1-[[3-(dicarbamoylamino)-4-methylphenyl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide Traditional Name: 2-amino-N-[2-[[1-[3-(dicarbamoylamino)-4-methyl-benzyl]pyrrolidin-3-yl]amino]-2-keto-ethyl]-5-(trifluoromethyl)benzamide Formula: C24H28F3N7O4 MolecularWeight: 535.51883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCC(C2)NC(=O)CNC(=O)C3=C(C=CC(=C3)C(F)(F)F)N)N(C(=O)N)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCC(C2)NC(=O)CNC(=O)C3=C(C=CC(=C3)C(F)(F)F)N)N(C(=O)N)C(=O)N

InChI

InChI=1S/C24H28F3N7O4/c1-13-2-3-14(8-19(13)34(22(29)37)23(30)38)11-33-7-6-16(12-33)32-20(35)10-31-21(36)17-9-15(24(25,26)27)4-5-18(17)28/h2-5,8-9,16H,6-7,10-12,28H2,1H3,(H2,29,37)(H2,30,38)(H,31,36)(H,32,35)