ethyl 2-[1-[2-(oxidanylidenemethylidene)-3-(propan-2-ylamino)-4-pyridin-2-yl-piperazin-1-yl]indol-5-yl]oxyethanoate

Systemtic Name: ethyl 2-[1-[2-(oxidanylidenemethylidene)-3-(propan-2-ylamino)-4-pyridin-2-yl-piperazin-1-yl]indol-5-yl]oxyethanoate Openeye Name: ethyl 2-[1-[3-(isopropylamino)-2-(oxomethylene)-4-(2-pyridyl)piperazin-1-yl]indol-5-yl]oxyacetate CAS Name: 2-[[1-[2-(oxomethylidene)-3-(propan-2-ylamino)-4-(2-pyridinyl)-1-piperazinyl]-5-indolyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[2-(oxomethylidene)-3-(propan-2-ylamino)-4-pyridin-2-ylpiperazin-1-yl]indol-5-yl]oxyacetate Traditional Name: 2-[1-[3-(isopropylamino)-2-(ketomethylene)-4-(2-pyridyl)piperazino]indol-5-yl]oxyacetic acid ethyl ester Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC2=C(C=C1)N(C=C2)N3CCN(C(C3=C=O)NC(C)C)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)COC1=CC2=C(C=C1)N(C=C2)N3CCN(C(C3=C=O)NC(C)C)C4=CC=CC=N4

InChI

InChI=1S/C25H29N5O4/c1-4-33-24(32)17-34-20-8-9-21-19(15-20)10-12-29(21)30-14-13-28(23-7-5-6-11-26-23)25(22(30)16-31)27-18(2)3/h5-12,15,18,25,27H,4,13-14,17H2,1-3H3