2,4-bis(chloranyl)-N-[(2S)-3-methyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)butan-2-yl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-[(2S)-3-methyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)butan-2-yl]benzamide Openeye Name: 2,4-dichloro-N-[(1S)-2-methyl-1-(4-phenylpiperazine-1-carbonyl)propyl]benzamide CAS Name: 2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-(4-phenyl-1-piperazinyl)butan-2-yl]benzamide IUPAC Name: 2,4-dichloro-N-[(2S)-3-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]benzamide Traditional Name: 2,4-dichloro-N-[(1S)-2-methyl-1-(4-phenylpiperazine-1-carbonyl)propyl]benzamide Formula: C22H25Cl2N3O2 MolecularWeight: 434.3588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H25Cl2N3O2/c1-15(2)20(25-21(28)18-9-8-16(23)14-19(18)24)22(29)27-12-10-26(11-13-27)17-6-4-3-5-7-17/h3-9,14-15,20H,10-13H2,1-2H3,(H,25,28)/t20-/m0/s1