N-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]azepane-1-carboxamide

Systemtic Name: N-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]azepane-1-carboxamide Openeye Name: N-[1-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-methyl-propyl]azepane-1-carboxamide CAS Name: N-[1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]azepane-1-carboxamide Traditional Name: N-[1-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-methyl-propyl]azepane-1-carboxamide Formula: C29H38F2N4O2 MolecularWeight: 512.634426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38F2N4O2/c1-21(2)26(32-29(37)35-15-5-3-4-6-16-35)28(36)34-19-17-33(18-20-34)27(22-7-11-24(30)12-8-22)23-9-13-25(31)14-10-23/h7-14,21,26-27H,3-6,15-20H2,1-2H3,(H,32,37)