ethyl N-[7,7-bis(4-fluorophenyl)-2-oxidanyl-3-piperazin-1-yl-heptyl]-N-phenyl-carbamate

Systemtic Name: ethyl N-[7,7-bis(4-fluorophenyl)-2-oxidanyl-3-piperazin-1-yl-heptyl]-N-phenyl-carbamate Openeye Name: ethyl N-[7,7-bis(4-fluorophenyl)-2-hydroxy-3-piperazin-1-yl-heptyl]-N-phenyl-carbamate CAS Name: N-[7,7-bis(4-fluorophenyl)-2-hydroxy-3-(1-piperazinyl)heptyl]-N-phenylcarbamic acid ethyl ester IUPAC Name: ethyl N-[7,7-bis(4-fluorophenyl)-2-hydroxy-3-piperazin-1-ylheptyl]-N-phenylcarbamate Traditional Name: N-[7,7-bis(4-fluorophenyl)-2-hydroxy-3-piperazino-heptyl]-N-phenyl-carbamic acid ethyl ester Formula: C32H39F2N3O3 MolecularWeight: 551.667166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CC(C(CCCC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)N3CCNCC3)O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N(CC(C(CCCC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)N3CCNCC3)O)C4=CC=CC=C4

InChI

InChI=1S/C32H39F2N3O3/c1-2-40-32(39)37(28-7-4-3-5-8-28)23-31(38)30(36-21-19-35-20-22-36)10-6-9-29(24-11-15-26(33)16-12-24)25-13-17-27(34)18-14-25/h3-5,7-8,11-18,29-31,35,38H,2,6,9-10,19-23H2,1H3