4-[[4-[3-chloranyl-5-methoxy-4-(3-methylbutoxy)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-chloranyl-5-methoxy-4-(3-methylbutoxy)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-chloro-4-isopentyloxy-5-methoxy-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[3-chloro-5-methoxy-4-(3-methylbutoxy)phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-chloro-4-isoamoxy-5-methoxy-benzoyl)piperazino]methyl]benzonitrile Formula: C25H30ClN3O3 MolecularWeight: 455.977

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C25H30ClN3O3/c1-18(2)8-13-32-24-22(26)14-21(15-23(24)31-3)25(30)29-11-9-28(10-12-29)17-20-6-4-19(16-27)5-7-20/h4-7,14-15,18H,8-13,17H2,1-3H3