1-(4-phenylazepan-1-yl)-2-[2-[(4-phenylpiperazin-1-yl)methyl]-4-pyrimidin-2-yl-phenoxy]ethanone

Systemtic Name: 1-(4-phenylazepan-1-yl)-2-[2-[(4-phenylpiperazin-1-yl)methyl]-4-pyrimidin-2-yl-phenoxy]ethanone Openeye Name: 1-(4-phenylazepan-1-yl)-2-[2-[(4-phenylpiperazin-1-yl)methyl]-4-pyrimidin-2-yl-phenoxy]ethanone CAS Name: 1-(4-phenyl-1-azepanyl)-2-[2-[(4-phenyl-1-piperazinyl)methyl]-4-(2-pyrimidinyl)phenoxy]ethanone IUPAC Name: 1-(4-phenylazepan-1-yl)-2-[2-[(4-phenylpiperazin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]ethanone Traditional Name: 1-(4-phenylazepan-1-yl)-2-[2-[(4-phenylpiperazino)methyl]-4-(2-pyrimidyl)phenoxy]ethanone Formula: C35H39N5O2 MolecularWeight: 561.71646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)COC2=C(C=C(C=C2)C3=NC=CC=N3)CN4CCN(CC4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CC(CCN(C1)C(=O)COC2=C(C=C(C=C2)C3=NC=CC=N3)CN4CCN(CC4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H39N5O2/c41-34(40-19-7-11-29(16-20-40)28-9-3-1-4-10-28)27-42-33-15-14-30(35-36-17-8-18-37-35)25-31(33)26-38-21-23-39(24-22-38)32-12-5-2-6-13-32/h1-6,8-10,12-15,17-18,25,29H,7,11,16,19-24,26-27H2