2-[4-[(5-nitrothiophen-3-yl)methyl]piperazin-1-yl]ethyl 4-(1H-indol-4-yl)piperazine-1-carboxylate

Systemtic Name: 2-[4-[(5-nitrothiophen-3-yl)methyl]piperazin-1-yl]ethyl 4-(1H-indol-4-yl)piperazine-1-carboxylate Openeye Name: 2-[4-[(5-nitro-3-thienyl)methyl]piperazin-1-yl]ethyl 4-(1H-indol-4-yl)piperazine-1-carboxylate CAS Name: 4-(1H-indol-4-yl)-1-piperazinecarboxylic acid 2-[4-[(5-nitro-3-thiophenyl)methyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(5-nitrothiophen-3-yl)methyl]piperazin-1-yl]ethyl 4-(1H-indol-4-yl)piperazine-1-carboxylate Traditional Name: 4-(1H-indol-4-yl)piperazine-1-carboxylic acid 2-[4-[(5-nitro-3-thienyl)methyl]piperazino]ethyl ester Formula: C24H30N6O4S MolecularWeight: 498.5978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)N2CCN(CC2)C3=CC=CC4=C3C=CN4)CC5=CSC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCOC(=O)N2CCN(CC2)C3=CC=CC4=C3C=CN4)CC5=CSC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H30N6O4S/c31-24(29-12-10-28(11-13-29)22-3-1-2-21-20(22)4-5-25-21)34-15-14-26-6-8-27(9-7-26)17-19-16-23(30(32)33)35-18-19/h1-5,16,18,25H,6-15,17H2