(phenylmethyl) 2-chloranyl-3-[3-chloranyl-5-methyl-2-(2-methylpropyl)-6-oxidanylidene-pyrazin-1-yl]indole-1-carboxylate

Systemtic Name: (phenylmethyl) 2-chloranyl-3-[3-chloranyl-5-methyl-2-(2-methylpropyl)-6-oxidanylidene-pyrazin-1-yl]indole-1-carboxylate Openeye Name: benzyl 2-chloro-3-(3-chloro-2-isobutyl-5-methyl-6-oxo-pyrazin-1-yl)indole-1-carboxylate CAS Name: 2-chloro-3-[3-chloro-5-methyl-2-(2-methylpropyl)-6-oxo-1-pyrazinyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-chloro-3-[3-chloro-5-methyl-2-(2-methylpropyl)-6-oxopyrazin-1-yl]indole-1-carboxylate Traditional Name: 2-chloro-3-(3-chloro-2-isobutyl-6-keto-5-methyl-pyrazin-1-yl)indole-1-carboxylic acid benzyl ester Formula: C25H23Cl2N3O3 MolecularWeight: 484.37442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N(C1=O)C2=C(N(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)Cl)CC(C)C)Cl

Isomeric SMILES

CC1=NC(=C(N(C1=O)C2=C(N(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)Cl)CC(C)C)Cl

InChI

InChI=1S/C25H23Cl2N3O3/c1-15(2)13-20-22(26)28-16(3)24(31)29(20)21-18-11-7-8-12-19(18)30(23(21)27)25(32)33-14-17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3