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

Systemtic Name: (phenylmethyl) 3-[3-chloranyl-5-methyl-2-(2-methylpropyl)-6-oxidanylidene-pyrazin-1-yl]indole-1-carboxylate Openeye Name: benzyl 3-(3-chloro-2-isobutyl-5-methyl-6-oxo-pyrazin-1-yl)indole-1-carboxylate CAS Name: 3-[3-chloro-5-methyl-2-(2-methylpropyl)-6-oxo-1-pyrazinyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[3-chloro-5-methyl-2-(2-methylpropyl)-6-oxopyrazin-1-yl]indole-1-carboxylate Traditional Name: 3-(3-chloro-2-isobutyl-6-keto-5-methyl-pyrazin-1-yl)indole-1-carboxylic acid benzyl ester Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O3/c1-16(2)13-21-23(26)27-17(3)24(30)29(21)22-14-28(20-12-8-7-11-19(20)22)25(31)32-15-18-9-5-4-6-10-18/h4-12,14,16H,13,15H2,1-3H3