N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxidanylidene-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-4-nitro-benzamide

Systemtic Name: N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxidanylidene-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-4-nitro-benzamide Openeye Name: N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[[1-(2-pyridyl)cyclohexyl]methylamino]propyl]-4-nitro-benzamide CAS Name: N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[[1-(2-pyridinyl)cyclohexyl]methylamino]propyl]-4-nitrobenzamide IUPAC Name: N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-4-nitrobenzamide Traditional Name: N-[(2S)-2-(1H-indol-2-yl)-3-keto-2-methyl-3-[[1-(2-pyridyl)cyclohexyl]methylamino]propyl]-4-nitro-benzamide Formula: C31H33N5O4 MolecularWeight: 539.62482

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])(C2=CC3=CC=CC=C3N2)C(=O)NCC4(CCCCC4)C5=CC=CC=N5

Isomeric SMILES

C[C@](CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])(C2=CC3=CC=CC=C3N2)C(=O)NCC4(CCCCC4)C5=CC=CC=N5

InChI

InChI=1S/C31H33N5O4/c1-30(27-19-23-9-3-4-10-25(23)35-27,20-33-28(37)22-12-14-24(15-13-22)36(39)40)29(38)34-21-31(16-6-2-7-17-31)26-11-5-8-18-32-26/h3-5,8-15,18-19,35H,2,6-7,16-17,20-21H2,1H3,(H,33,37)(H,34,38)/t30-/m0/s1