(Z)-4-[3-chloranyl-2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-indol-5-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (Z)-4-[3-chloranyl-2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-indol-5-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (Z)-4-[3-chloro-2-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]-1H-indol-5-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (Z)-4-[3-chloro-2-[oxo-[4-[3-(propan-2-ylamino)-2-pyridinyl]-1-piperazinyl]methyl]-1H-indol-5-yl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (Z)-4-[3-chloro-2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (Z)-4-[3-chloro-2-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]-1H-indol-5-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C25H26ClN5O5 MolecularWeight: 511.95744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=C(C4=C(N3)C=CC(=C4)C(=CC(=O)C(=O)O)O)Cl

Isomeric SMILES

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=C(C4=C(N3)C=CC(=C4)/C(=C/C(=O)C(=O)O)/O)Cl

InChI

InChI=1S/C25H26ClN5O5/c1-14(2)28-18-4-3-7-27-23(18)30-8-10-31(11-9-30)24(34)22-21(26)16-12-15(5-6-17(16)29-22)19(32)13-20(33)25(35)36/h3-7,12-14,28-29,32H,8-11H2,1-2H3,(H,35,36)/b19-13-