N-[3-(6-tert-butyl-1H-indol-3-yl)-1-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)-1-oxidanylidene-propan-2-yl]-4-nitro-benzamide

Systemtic Name: N-[3-(6-tert-butyl-1H-indol-3-yl)-1-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)-1-oxidanylidene-propan-2-yl]-4-nitro-benzamide Openeye Name: N-[1-[(6-tert-butyl-1H-indol-3-yl)methyl]-2-[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[3-(6-tert-butyl-1H-indol-3-yl)-1-[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-1-oxopropan-2-yl]-4-nitrobenzamide IUPAC Name: N-[3-(6-tert-butyl-1H-indol-3-yl)-1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]-4-nitrobenzamide Traditional Name: N-[1-[(6-tert-butyl-1H-indol-3-yl)methyl]-2-[4-(cyclopropanecarbonyl)-3-methyl-piperazino]-2-keto-ethyl]-4-nitro-benzamide Formula: C31H37N5O5 MolecularWeight: 559.65598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C(=O)C(CC3=CNC4=C3C=CC(=C4)C(C)(C)C)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2)C(=O)C(CC3=CNC4=C3C=CC(=C4)C(C)(C)C)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H37N5O5/c1-19-18-34(13-14-35(19)29(38)21-5-6-21)30(39)27(33-28(37)20-7-10-24(11-8-20)36(40)41)15-22-17-32-26-16-23(31(2,3)4)9-12-25(22)26/h7-12,16-17,19,21,27,32H,5-6,13-15,18H2,1-4H3,(H,33,37)