N-[[3-[4-[4-[2-[bis(2-chloroethyl)amino]ethanoyl]piperazin-1-yl]-3-fluoranyl-phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]ethanamide

Systemtic Name: N-[[3-[4-[4-[2-[bis(2-chloroethyl)amino]ethanoyl]piperazin-1-yl]-3-fluoranyl-phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]ethanamide Openeye Name: N-[[3-[4-[4-[2-[bis(2-chloroethyl)amino]acetyl]piperazin-1-yl]-3-fluoro-phenyl]-4,5-dihydroisoxazol-5-yl]methyl]acetamide CAS Name: N-[[3-[4-[4-[2-[bis(2-chloroethyl)amino]-1-oxoethyl]-1-piperazinyl]-3-fluorophenyl]-4,5-dihydroisoxazol-5-yl]methyl]acetamide IUPAC Name: N-[[3-[4-[4-[2-[bis(2-chloroethyl)amino]acetyl]piperazin-1-yl]-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide Traditional Name: N-[[3-[4-[4-[2-[bis(2-chloroethyl)amino]acetyl]piperazino]-3-fluoro-phenyl]-2-isoxazolin-5-yl]methyl]acetamide Formula: C22H30Cl2FN5O3 MolecularWeight: 502.409703

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CC(=NO1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CN(CCCl)CCCl)F

Isomeric SMILES

CC(=O)NCC1CC(=NO1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CN(CCCl)CCCl)F

InChI

InChI=1S/C22H30Cl2FN5O3/c1-16(31)26-14-18-13-20(27-33-18)17-2-3-21(19(25)12-17)29-8-10-30(11-9-29)22(32)15-28(6-4-23)7-5-24/h2-3,12,18H,4-11,13-15H2,1H3,(H,26,31)