4-chloranyl-N-[(2S)-1-oxidanylidene-1-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]propan-2-yl]benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-1-oxidanylidene-1-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]propan-2-yl]benzamide Openeye Name: N-[(1S)-2-[4-(4-benzylpiperazin-1-yl)anilino]-1-methyl-2-oxo-ethyl]-4-chloro-benzamide CAS Name: 4-chloro-N-[(2S)-1-oxo-1-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]propan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[4-(4-benzylpiperazin-1-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide Traditional Name: N-[(1S)-2-[4-(4-benzylpiperazino)anilino]-2-keto-1-methyl-ethyl]-4-chloro-benzamide Formula: C27H29ClN4O2 MolecularWeight: 476.99776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H29ClN4O2/c1-20(29-27(34)22-7-9-23(28)10-8-22)26(33)30-24-11-13-25(14-12-24)32-17-15-31(16-18-32)19-21-5-3-2-4-6-21/h2-14,20H,15-19H2,1H3,(H,29,34)(H,30,33)/t20-/m0/s1