(2S)-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-N-phenyl-piperazine-1-carboxamide

Systemtic Name: (2S)-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-N-phenyl-piperazine-1-carboxamide Openeye Name: (2S)-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-3-oxo-N-phenyl-piperazine-1-carboxamide CAS Name: (2S)-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-oxo-N-phenyl-1-piperazinecarboxamide IUPAC Name: (2S)-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide Traditional Name: (2S)-2-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-3-keto-N-phenyl-piperazine-1-carboxamide Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O5/c25-18(22-14-6-7-16-17(10-14)29-12-28-16)11-15-19(26)21-8-9-24(15)20(27)23-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,21,26)(H,22,25)(H,23,27)/t15-/m0/s1