N-[(2S)-1-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]-2-furamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C26H30N4O3/c1-2-29-14-16-30(17-15-29)22-12-10-21(11-13-22)27-25(31)23(19-20-7-4-3-5-8-20)28-26(32)24-9-6-18-33-24/h3-13,18,23H,2,14-17,19H2,1H3,(H,27,31)(H,28,32)/p+1/t23-/m0/s1