N-[3-(7-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-(7-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-[(7-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-(7-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-(7-tert-butyl-1H-indol-3-yl)-1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]-4-nitrobenzamide Traditional Name: N-[1-[(7-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=C4C(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=C4C(C)(C)C)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

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