methyl 6-methoxy-3-[3-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 6-methoxy-3-[3-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 6-methoxy-3-[3-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 6-methoxy-3-[[3-[4-[(4-nitrophenyl)methyl]-1-piperazinyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 6-methoxy-3-[3-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 6-methoxy-3-[3-[4-(4-nitrobenzyl)piperazino]propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C25H29N5O6 MolecularWeight: 495.52766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CCN3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CCN3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O6/c1-35-19-7-8-20-21(15-19)26-24(25(32)36-2)23(20)27-22(31)9-10-28-11-13-29(14-12-28)16-17-3-5-18(6-4-17)30(33)34/h3-8,15,26H,9-14,16H2,1-2H3,(H,27,31)