3-carbamimidoyl-N-[(1R)-2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]benzamide

Systemtic Name: 3-carbamimidoyl-N-[(1R)-2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]benzamide Openeye Name: 3-carbamimidoyl-N-[(1R)-2-[4-(4-fluorobenzoyl)-1-piperidyl]-2-oxo-1-phenyl-ethyl]benzamide CAS Name: 3-carbamimidoyl-N-[(1R)-2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-2-oxo-1-phenylethyl]benzamide IUPAC Name: 3-carbamimidoyl-N-[(1R)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide Traditional Name: 3-amidino-N-[(1R)-2-[4-(4-fluorobenzoyl)piperidino]-2-keto-1-phenyl-ethyl]benzamide Formula: C28H27FN4O3 MolecularWeight: 486.537383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)C(=O)C(C3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)C(=O)[C@@H](C3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C28H27FN4O3/c29-23-11-9-19(10-12-23)25(34)20-13-15-33(16-14-20)28(36)24(18-5-2-1-3-6-18)32-27(35)22-8-4-7-21(17-22)26(30)31/h1-12,17,20,24H,13-16H2,(H3,30,31)(H,32,35)/t24-/m1/s1