N3-(2-azanylethyl)-4-(4-tert-butylphenyl)carbonyl-N1-(3-fluorophenyl)piperazine-1,3-dicarboxamide

Systemtic Name: N3-(2-azanylethyl)-4-(4-tert-butylphenyl)carbonyl-N1-(3-fluorophenyl)piperazine-1,3-dicarboxamide Openeye Name: N3-(2-aminoethyl)-4-(4-tert-butylbenzoyl)-N1-(3-fluorophenyl)piperazine-1,3-dicarboxamide CAS Name: N3-(2-aminoethyl)-4-[(4-tert-butylphenyl)-oxomethyl]-N1-(3-fluorophenyl)piperazine-1,3-dicarboxamide IUPAC Name: 3-N-(2-aminoethyl)-4-(4-tert-butylbenzoyl)-1-N-(3-fluorophenyl)piperazine-1,3-dicarboxamide Traditional Name: N'-(2-aminoethyl)-4-(4-tert-butylbenzoyl)-N-(3-fluorophenyl)piperazine-1,3-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)N2CCN(CC2C(=O)NCCN)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2C(=O)NCCN)C(=O)NC3=CC(=CC=C3)F

InChI

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