N-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide

Systemtic Name: N-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide Openeye Name: N-[1-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-methyl-butyl]azepane-1-carboxamide CAS Name: N-[1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-4-methyl-1-oxopentan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide Traditional Name: N-[1-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-methyl-butyl]azepane-1-carboxamide Formula: C30H40F2N4O2 MolecularWeight: 526.661006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)NC(=O)N4CCCCCC4

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)NC(=O)N4CCCCCC4

InChI

InChI=1S/C30H40F2N4O2/c1-22(2)21-27(33-30(38)36-15-5-3-4-6-16-36)29(37)35-19-17-34(18-20-35)28(23-7-11-25(31)12-8-23)24-9-13-26(32)14-10-24/h7-14,22,27-28H,3-6,15-21H2,1-2H3,(H,33,38)