N-[4-[[cyano(methyl)carbamoyl]-(3-methylbutyl)carbamoyl]phenyl]-4-(phenylmethyl)piperazine-1-carboxamide; ethanoyl fluoride

Systemtic Name: N-[4-[[cyano(methyl)carbamoyl]-(3-methylbutyl)carbamoyl]phenyl]-4-(phenylmethyl)piperazine-1-carboxamide; ethanoyl fluoride Openeye Name: acetyl fluoride; 4-benzyl-N-[4-[[cyano(methyl)carbamoyl]-isopentyl-carbamoyl]phenyl]piperazine-1-carboxamide CAS Name: acetyl fluoride; N-[4-[[[[cyano(methyl)amino]-oxomethyl]-(3-methylbutyl)amino]-oxomethyl]phenyl]-4-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: acetyl fluoride; 4-benzyl-N-[4-[[cyano(methyl)carbamoyl]-(3-methylbutyl)carbamoyl]phenyl]piperazine-1-carboxamide Traditional Name: acetyl fluoride; 4-benzyl-N-[4-[[cyano(methyl)carbamoyl]-isoamyl-carbamoyl]phenyl]piperazine-1-carboxamide Formula: C33H43F3N6O6 MolecularWeight: 676.72633

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)N(C)C#N.CC(=O)F.CC(=O)F.CC(=O)F

Isomeric SMILES

CC(C)CCN(C(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)N(C)C#N.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C27H34N6O3.3C2H3FO/c1-21(2)13-14-33(27(36)30(3)20-28)25(34)23-9-11-24(12-10-23)29-26(35)32-17-15-31(16-18-32)19-22-7-5-4-6-8-22;3*1-2(3)4/h4-12,21H,13-19H2,1-3H3,(H,29,35);3*1H3