2-[4-[2-azanyl-3-(4-fluorophenyl)propanoyl]-2-oxidanylidene-3-propyl-piperazin-1-yl]-3-(3-cyanophenyl)-N-methyl-propanamide

Systemtic Name: 2-[4-[2-azanyl-3-(4-fluorophenyl)propanoyl]-2-oxidanylidene-3-propyl-piperazin-1-yl]-3-(3-cyanophenyl)-N-methyl-propanamide Openeye Name: 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-2-oxo-3-propyl-piperazin-1-yl]-3-(3-cyanophenyl)-N-methyl-propanamide CAS Name: 2-[4-[2-amino-3-(4-fluorophenyl)-1-oxopropyl]-2-oxo-3-propyl-1-piperazinyl]-3-(3-cyanophenyl)-N-methylpropanamide IUPAC Name: 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-2-oxo-3-propylpiperazin-1-yl]-3-(3-cyanophenyl)-N-methylpropanamide Traditional Name: 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-2-keto-3-propyl-piperazino]-3-(3-cyanophenyl)-N-methyl-propionamide Formula: C27H32FN5O3 MolecularWeight: 493.573083

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(CCN1C(=O)C(CC2=CC=C(C=C2)F)N)C(CC3=CC=CC(=C3)C#N)C(=O)NC

Isomeric SMILES

CCCC1C(=O)N(CCN1C(=O)C(CC2=CC=C(C=C2)F)N)C(CC3=CC=CC(=C3)C#N)C(=O)NC

InChI

InChI=1S/C27H32FN5O3/c1-3-5-23-27(36)33(24(25(34)31-2)16-19-6-4-7-20(14-19)17-29)13-12-32(23)26(35)22(30)15-18-8-10-21(28)11-9-18/h4,6-11,14,22-24H,3,5,12-13,15-16,30H2,1-2H3,(H,31,34)