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

Systemtic Name: N-[1-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-nitro-benzamide Openeye Name: N-[2-[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[1-[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-nitrobenzamide IUPAC Name: N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-nitrobenzamide Traditional Name: N-[2-[4-(cyclopropanecarbonyl)-3-methyl-piperazino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-4-nitro-benzamide Formula: C27H29N5O5 MolecularWeight: 503.54966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2)C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H29N5O5/c1-17-16-30(12-13-31(17)26(34)19-6-7-19)27(35)24(14-20-15-28-23-5-3-2-4-22(20)23)29-25(33)18-8-10-21(11-9-18)32(36)37/h2-5,8-11,15,17,19,24,28H,6-7,12-14,16H2,1H3,(H,29,33)