(3S,6S)-1-methyl-6-[(4-nitro-1H-indol-3-yl)methyl]-3-(phenylmethyl)piperazine-2,5-dione

Systemtic Name: (3S,6S)-1-methyl-6-[(4-nitro-1H-indol-3-yl)methyl]-3-(phenylmethyl)piperazine-2,5-dione Openeye Name: (3S,6S)-3-benzyl-1-methyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione CAS Name: (3S,6S)-1-methyl-6-[(4-nitro-1H-indol-3-yl)methyl]-3-(phenylmethyl)piperazine-2,5-dione IUPAC Name: (3S,6S)-3-benzyl-1-methyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione Traditional Name: (3S,6S)-3-benzyl-1-methyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-quinone Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)NC(C1=O)CC2=CC=CC=C2)CC3=CNC4=C3C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1[C@H](C(=O)N[C@H](C1=O)CC2=CC=CC=C2)CC3=CNC4=C3C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4/c1-24-18(11-14-12-22-15-8-5-9-17(19(14)15)25(28)29)20(26)23-16(21(24)27)10-13-6-3-2-4-7-13/h2-9,12,16,18,22H,10-11H2,1H3,(H,23,26)/t16-,18-/m0/s1