N-[3-(1-tert-butylindol-3-yl)-1-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)-1-oxidanylidene-propan-2-yl]-4-nitro-benzamide

Systemtic Name: N-[3-(1-tert-butylindol-3-yl)-1-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)-1-oxidanylidene-propan-2-yl]-4-nitro-benzamide Openeye Name: N-[1-[(1-tert-butylindol-3-yl)methyl]-2-[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[3-(1-tert-butyl-3-indolyl)-1-[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-1-oxopropan-2-yl]-4-nitrobenzamide IUPAC Name: N-[3-(1-tert-butylindol-3-yl)-1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]-4-nitrobenzamide Traditional Name: N-[1-[(1-tert-butylindol-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=CN(C4=CC=CC=C43)C(C)(C)C)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2)C(=O)C(CC3=CN(C4=CC=CC=C43)C(C)(C)C)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H37N5O5/c1-20-18-33(15-16-34(20)29(38)22-9-10-22)30(39)26(32-28(37)21-11-13-24(14-12-21)36(40)41)17-23-19-35(31(2,3)4)27-8-6-5-7-25(23)27/h5-8,11-14,19-20,22,26H,9-10,15-18H2,1-4H3,(H,32,37)