(2R,3S)-2-azanyl-N-cyclohexyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-propanamide

Systemtic Name: (2R,3S)-2-azanyl-N-cyclohexyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-propanamide Openeye Name: (2R,3S)-2-amino-N-cyclohexyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-propanamide CAS Name: (2R,3S)-2-amino-N-cyclohexyl-3-[4-(4-fluorophenyl)-1-piperazinyl]-3-phenylpropanamide IUPAC Name: (2R,3S)-2-amino-N-cyclohexyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropanamide Traditional Name: (2R,3S)-2-amino-N-cyclohexyl-3-[4-(4-fluorophenyl)piperazino]-3-phenyl-propionamide Formula: C25H33FN4O MolecularWeight: 424.554123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C(C2=CC=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)F)N

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@@H]([C@H](C2=CC=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)F)N

InChI

InChI=1S/C25H33FN4O/c26-20-11-13-22(14-12-20)29-15-17-30(18-16-29)24(19-7-3-1-4-8-19)23(27)25(31)28-21-9-5-2-6-10-21/h1,3-4,7-8,11-14,21,23-24H,2,5-6,9-10,15-18,27H2,(H,28,31)/t23-,24+/m1/s1