N-[2-[(E)-3-[(2R)-2-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-5-chloranyl-phenyl]ethanamide

Systemtic Name: N-[2-[(E)-3-[(2R)-2-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-5-chloranyl-phenyl]ethanamide Openeye Name: N-[2-[(E)-3-[(2R)-2-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxo-prop-1-enyl]-5-chloro-phenyl]acetamide CAS Name: N-[2-[(E)-3-[(2R)-2-(aminomethyl)-4-[(4-fluorophenyl)methyl]-1-piperazinyl]-3-oxoprop-1-enyl]-5-chlorophenyl]acetamide IUPAC Name: N-[2-[(E)-3-[(2R)-2-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]-5-chlorophenyl]acetamide Traditional Name: N-[2-[(E)-3-[(2R)-2-(aminomethyl)-4-(4-fluorobenzyl)piperazino]-3-keto-prop-1-enyl]-5-chloro-phenyl]acetamide Formula: C23H26ClFN4O2 MolecularWeight: 444.929543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)Cl)C=CC(=O)N2CCN(CC2CN)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)Cl)/C=C/C(=O)N2CCN(C[C@H]2CN)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H26ClFN4O2/c1-16(30)27-22-12-19(24)6-4-18(22)5-9-23(31)29-11-10-28(15-21(29)13-26)14-17-2-7-20(25)8-3-17/h2-9,12,21H,10-11,13-15,26H2,1H3,(H,27,30)/b9-5+/t21-/m1/s1