1-[4-[4-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylamino]phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-[4-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylamino]phenyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[4-[(4-benzyloxy-3-chloro-5-methoxy-phenyl)methylamino]phenyl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[4-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[4-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]phenyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[4-[(4-benzoxy-3-chloro-5-methoxy-benzyl)amino]phenyl]piperazino]propan-1-one Formula: C28H32ClN3O3 MolecularWeight: 494.02498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NCC3=CC(=C(C(=C3)Cl)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NCC3=CC(=C(C(=C3)Cl)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C28H32ClN3O3/c1-3-27(33)32-15-13-31(14-16-32)24-11-9-23(10-12-24)30-19-22-17-25(29)28(26(18-22)34-2)35-20-21-7-5-4-6-8-21/h4-12,17-18,30H,3,13-16,19-20H2,1-2H3