N-(2-azanylethyl)-1-(6-chloranylpyridin-3-yl)carbonyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(6-chloranylpyridin-3-yl)carbonyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(6-chloropyridine-3-carbonyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(6-chloro-3-pyridinyl)-oxomethyl]-3-[(3-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(6-chloropyridine-3-carbonyl)-3-(3-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(6-chloronicotinoyl)-3-(3-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=CN=C(C=C2)Cl)C(=O)NCCN)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

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

InChI

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