N2-(2-azanylethyl)-3-(4-tert-butylphenyl)carbonyl-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-3-(4-tert-butylphenyl)carbonyl-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-3-(4-tert-butylbenzoyl)-N1-(3-fluorophenyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-3-[(4-tert-butylphenyl)-oxomethyl]-N1-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-(4-tert-butylbenzoyl)-1-N-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-3-(4-tert-butylbenzoyl)-N-(3-fluorophenyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C25H32FN5O3 MolecularWeight: 469.551683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C25H32FN5O3/c1-25(2,3)18-10-8-17(9-11-18)23(33)30-14-5-15-31(22(30)21(32)28-13-12-27)24(34)29-20-7-4-6-19(26)16-20/h4,6-11,16,22H,5,12-15,27H2,1-3H3,(H,28,32)(H,29,34)