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

Systemtic Name: N-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-methyl-pentan-2-yl]azepane-1-carboxamide Openeye Name: N-[1-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-methyl-butyl]azepane-1-carboxamide CAS Name: N-[1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-4-methylpentan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-methylpentan-2-yl]azepane-1-carboxamide Traditional Name: N-[1-[[4-[bis(4-fluorophenyl)methyl]piperazino]methyl]-3-methyl-butyl]azepane-1-carboxamide Formula: C30H42F2N4O MolecularWeight: 512.677486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CN1CCN(CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)NC(=O)N4CCCCCC4

Isomeric SMILES

CC(C)CC(CN1CCN(CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)NC(=O)N4CCCCCC4

InChI

InChI=1S/C30H42F2N4O/c1-23(2)21-28(33-30(37)36-15-5-3-4-6-16-36)22-34-17-19-35(20-18-34)29(24-7-11-26(31)12-8-24)25-9-13-27(32)14-10-25/h7-14,23,28-29H,3-6,15-22H2,1-2H3,(H,33,37)