2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 4-phenylbutanoate

Systemtic Name: 2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 4-phenylbutanoate Openeye Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 4-phenylbutanoate CAS Name: 4-phenylbutanoic acid 2-[4-[3-(2-chloro-10-phenothiazinyl)propyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 4-phenylbutanoate Traditional Name: 4-phenylbutyric acid 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazino]ethyl ester Formula: C31H36ClN3O2S MolecularWeight: 550.15444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCOC(=O)CCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCOC(=O)CCCC5=CC=CC=C5

InChI

InChI=1S/C31H36ClN3O2S/c32-26-14-15-30-28(24-26)35(27-11-4-5-12-29(27)38-30)17-7-16-33-18-20-34(21-19-33)22-23-37-31(36)13-6-10-25-8-2-1-3-9-25/h1-5,8-9,11-12,14-15,24H,6-7,10,13,16-23H2