3-[2-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-phenyl-propan-1-one

Systemtic Name: 3-[2-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-phenyl-propan-1-one Openeye Name: 3-[2-[[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-phenyl-propan-1-one CAS Name: 3-[2-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]methyl]-1-benzimidazolyl]-1-phenyl-1-propanone IUPAC Name: 3-[2-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-phenylpropan-1-one Traditional Name: 3-[2-[[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]methyl]benzimidazol-1-yl]-1-phenyl-propan-1-one Formula: C29H37N5O2 MolecularWeight: 487.63638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4N3CCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4N3CCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H37N5O2/c35-27(24-10-4-3-5-11-24)14-17-34-26-13-7-6-12-25(26)30-28(34)22-31-18-20-32(21-19-31)23-29(36)33-15-8-1-2-9-16-33/h3-7,10-13H,1-2,8-9,14-23H2