N-[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]-2,2-dimethyl-propanamide Openeye Name: N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-2,2-dimethyl-propanamide CAS Name: N-[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]phenyl]-2,2-dimethylpropanamide IUPAC Name: N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide Traditional Name: N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazino]phenyl]-2,2-dimethyl-propionamide Formula: C25H32ClN3O3 MolecularWeight: 457.99288

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C(C)(C)C)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C(C)(C)C)Cl

InChI

InChI=1S/C25H32ClN3O3/c1-5-16-32-20-9-6-18(7-10-20)23(30)29-14-12-28(13-15-29)22-11-8-19(17-21(22)26)27-24(31)25(2,3)4/h6-11,17H,5,12-16H2,1-4H3,(H,27,31)