N-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-cyano-phenyl]-2-ethyl-butanamide

Systemtic Name: N-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-cyano-phenyl]-2-ethyl-butanamide Openeye Name: N-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-cyano-phenyl]-2-ethyl-butanamide CAS Name: N-[4-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-3-cyanophenyl]-2-ethylbutanamide IUPAC Name: N-[4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-cyanophenyl]-2-ethylbutanamide Traditional Name: N-[4-[4-[bis(4-fluorophenyl)methyl]piperazino]-3-cyano-phenyl]-2-ethyl-butyramide Formula: C30H32F2N4O MolecularWeight: 502.598086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C30H32F2N4O/c1-3-21(4-2)30(37)34-27-13-14-28(24(19-27)20-33)35-15-17-36(18-16-35)29(22-5-9-25(31)10-6-22)23-7-11-26(32)12-8-23/h5-14,19,21,29H,3-4,15-18H2,1-2H3,(H,34,37)