ethyl 1-[6-[4-(1H-indol-4-yl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[4-(1H-indol-4-yl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[4-(1H-indol-4-yl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(1H-indol-4-yl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(1H-indol-4-yl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(1H-indol-4-yl)piperazino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C24H29N7O4 MolecularWeight: 479.53156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC5=C4C=CN5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC5=C4C=CN5)[N+](=O)[O-]

InChI

InChI=1S/C24H29N7O4/c1-2-35-24(32)17-7-10-29(11-8-17)22-21(31(33)34)23(27-16-26-22)30-14-12-28(13-15-30)20-5-3-4-19-18(20)6-9-25-19/h3-6,9,16-17,25H,2,7-8,10-15H2,1H3