N-[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]-3-methyl-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]-3-methyl-benzamide Openeye Name: N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-3-methyl-benzamide CAS Name: N-[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]phenyl]-3-methylbenzamide IUPAC Name: N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-3-methylbenzamide Traditional Name: N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazino]phenyl]-3-methyl-benzamide Formula: C28H30ClN3O3 MolecularWeight: 492.0091

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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)C4=CC(=CC=C4)C)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)C)Cl

InChI

InChI=1S/C28H30ClN3O3/c1-3-17-35-24-10-7-21(8-11-24)28(34)32-15-13-31(14-16-32)26-12-9-23(19-25(26)29)30-27(33)22-6-4-5-20(2)18-22/h4-12,18-19H,3,13-17H2,1-2H3,(H,30,33)