N-[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-4-(1H-indol-2-ylcarbonyl)piperazine-1-carboxamide

Systemtic Name: N-[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-4-(1H-indol-2-ylcarbonyl)piperazine-1-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-(2-furylmethylamino)-2-oxo-ethyl]-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide CAS Name: N-[(2S)-1-(2-furanylmethylamino)-1-oxo-3-phenylpropan-2-yl]-4-[1H-indol-2-yl(oxo)methyl]-1-piperazinecarboxamide IUPAC Name: N-[(2S)-1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-(2-furfurylamino)-2-keto-ethyl]-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3N2)C(=O)NC(CC4=CC=CC=C4)C(=O)NCC5=CC=CO5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3N2)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)NCC5=CC=CO5

InChI

InChI=1S/C28H29N5O4/c34-26(29-19-22-10-6-16-37-22)24(17-20-7-2-1-3-8-20)31-28(36)33-14-12-32(13-15-33)27(35)25-18-21-9-4-5-11-23(21)30-25/h1-11,16,18,24,30H,12-15,17,19H2,(H,29,34)(H,31,36)/t24-/m0/s1