N-(2-azanylethyl)-1-(2-chloranylpyridin-3-yl)carbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(2-chloranylpyridin-3-yl)carbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(2-chloropyridine-3-carbonyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(2-chloro-3-pyridinyl)-oxomethyl]-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(2-chloropyridine-3-carbonyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(2-chloronicotinoyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C20H21ClFN5O3 MolecularWeight: 433.863843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)C2=C(N=CC=C2)Cl)C(=O)NCCN)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(C(N(C1)C(=O)C2=C(N=CC=C2)Cl)C(=O)NCCN)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21ClFN5O3/c21-16-15(3-1-9-24-16)20(30)27-12-2-11-26(18(27)17(28)25-10-8-23)19(29)13-4-6-14(22)7-5-13/h1,3-7,9,18H,2,8,10-12,23H2,(H,25,28)